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8th International Conference on Discrete Element Methods

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8th International Conference
on Discrete Element Methods
21-26 July 2019
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 Table of Contents
Sponsors .......................................................................................................... 2
Important Information .................................................................................... 5
Committee members ...................................................................................... 6
Local Organising Committee ....................................................................................6
International Organising Committee ........................................................................6
International Scientific Committee ..........................................................................7
Plenary talks ..................................................................................................... 8
Thorsten Pöschel – FAU Erlangen-Nürnberg, Germany ...........................................9
Stefan Radl – Technische Universität Graz, Austria................................................10
Franck (Farhang) Radjai – Université de Montpellier, France; Massachusetts
Institute of Technology, USA ..................................................................................12
Prashant Gupta – Procter & Gamble, UK ...............................................................13
Catherine O’Sullivan – Imperial College London, UK ..............................................14
Benjy Marks – The University of Sydney, Australia ................................................16
Christine Hrenya – University of Colorado, USA ....................................................17
Thomas Weinhart – Universiteit Twente, The Netherlands ...................................18
David Pinson – BlueScope Steel, Australia .............................................................20
Jidong Zhao – Hong Kong University of Science and Technology, China................21
Abstracts listed by ID ..................................................................................... 23
Notes ............................................................................................................ 312

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4
 Important Information
Emergency phone numbers
- Emergencies on campus: +31 (0)53 489 22 22
- Emergencies off campus: 112
- Emergency Doctor appointments: +31(0)53 203 02 04
- Emergency Doctor appointments: +31(0)88 555 11 88 (Weekend between 17:00
– 08:00)
- Emergency Dental appointments: +31 (0)900 128 26 32
- Doctors service information number: +31 (0)900 431 33 33
- Twente Police Department: +31 (0)900 8844

Trains
In the Netherlands, traveling by train for long distances is most recommended. Taxis are
relatively expensive compared to other countries. The easiest way to check train times is
the NS Travel Planner (https://www.ns.nl/en). It will show you all available trains to your
desired destination, the times and how often you need to change trains.
Buses
The University of Twente campus is connected with the bus network of the cities of
Enschede and Hengelo. The nearest bus stop to get to either city is Westerbegraafplaats,
see map on the previous page. OV9292 (https://9292.nl/en) provides information about
traveling by public transport. In addition, Google Maps usually shows the most convenient
routes with public transport as well.
Taxis
Here are some numbers of local taxi operators:
Taxi Maxx: +31 (0)53 450 05 00
DiTaxi: +31 (0)53 461 50 60
Schiphol Travel Taxi: +31 (0)900 88 76 (Airport Taxi)
Programme
The final programme is available online at https://mercurylab.co.uk/dem8/programme/.
This will also be distributed separately.

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 Committee members
Local Organising Committee
Anthony Thornton – Universiteit Twente, The Netherlands
Thomas Weinhart – Universiteit Twente, The Netherlands
Stefan Luding – Universiteit Twente, The Netherlands
Donna Fitzsimmons – MercuryLab BV, The Netherlands
Hao Shi – MercuryLab BV, The Netherlands
Coby van Houten – Universiteit Twente, The Netherlands

International Organising Committee

Harish Cherukuri – UNC Charlotte, USA
Mojtaba Ghadiri – University of Leeds, UK
Shunying Ji – Dalian University of Technology, China
Christoph Kloss – DCS Computing, Austria
Harald Kruggel-Emden – Technische Universität Berlin, Germany
Jeremy Lechman – Sandia National Laboratories, USA
Catherine O’Sullivan – Imperial College London, UK
Thorsten Pöschel – Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany
Franck (Farhang) Radjai – Université de Montpellier, France
Dingena Schott – Technische Universiteit Delft, The Netherlands
Subhash Thakur – Alkermes, OH, USA
Aibing Yu – Monash University, Australia

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 International Scientific Committee
Fernando Alonso-Marroquin – University of Joe Morris – Lawrence Livermore National
Sydney, Australia Laboratory, USA
Katalin Bagi – Budapest University of Antonio Munjiza – University of Split and
Technology and Economics, Hungary Croatian Academy of Science, Croatia
Bruno Chareyre – Grenoble INP, France Graham Mustoe – Colorado School of Mines,
François Chevoir – Laboratoire Navier, USA
France Jin Y. Ooi – University of Edinburgh, UK
Paul Cleary – Commonwealth Scientific and Bernhard Peters – Université du
Industrial Research Organisation (CSIRO), Luxembourg, Luxembourg
Australia Luis A. Pugnaloni – Universidad Tecnológica
Raúl Cruz Hidalgo – Universidad de Navarra, Nacional, Argentina
Spain Esteban Rougier – Los Alamos National
Felix Darve – Grenoble INP, France Laboratory, USA
Tim Donahue – University of Newcastle, Mikio Sakai – University of Tokyo, Japan
Australia Mark Sawley – École polytechnique fédérale
Itai Einav – University of Sydney, Australia de Lausanne (EPFL), Switzerland
John Favier – Tech-to-Tech Consulting, USA Thallak G. Sitharam – Indian Institute of
Yuntian Feng – Swansea University, UK Science, India

Indresan Govender – University of KwaZulu- Paal Skjetne – Stiftelsen for industriell og

Natal, South Africa teknisk forskning (SINTEF), Norway

Nicolin Govender – University of Surrey, UK Rodrigo Soto – Universidad de Chile, Chile

Giovanni Grasselli – University of Toronto, Kiichi Suzuki – Saitama University, Japan

Canada Jukka Tuhkuri – Aalto-yliopiston, Finland
Hans Herrmann – PMMH, ESPCI Paris, Ugur Tuzun – University of Surrey, UK
France Dengming Wang – Lanzhou University, China
Mingjing Jiang – Tongji University, China John Williams – MIT, USA
Petros Komodromos – University of Cyprus, Dietrich Wolf – Universität Duisburg-Essen,
Cyprus Germany
Hans Kuipers – Technische Universiteit Peter Wriggers – Leibniz
Eindhoven, The Netherlands Universität Hannover, Germany
John-Paul Latham – Imperial College Chuan-Yu (Charley) Wu – University of
London, UK Surrey, UK
Xikui Li – Dalian University of Technology, Zhanping You – Michigan Technological
China University, USA
Michel Louge – Cornell University, USA Jidong Zhao – Hong Kong University of
Science and Technology, China

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 Plenary talks
Monday 22nd July, 9:20 - Thorsten Pöschel
Monday 22nd July, 13:50 - Stefan Radl
Tuesday 23rd July, 9:00 - Franck (Farhang) Radjai
Tuesday 23rd July, 13:50 - Prashant Gupta
Wednesday 24th July, 9:00 - Catherine O’Sullivan
Wednesday 24th July, 14:10 - Benjy Marks
Thursday 25th July, 9:00 - Christine Hrenya
Thursday 25th July, 13:30 - Thomas Weinhart
Thursday 25th July, After-dinner - David Pinson
Friday 26th July, 9:00 - Jidong Zhao

Prizes
Both the best student talk and student poster will receive a prize of 150 € worth of
Springer products.

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Thorsten Pöschel – FAU Erlangen-
Nürnberg, Germany
Title
Simulation of Granular Packings by Ballistic
Deposition
Abstract
We present an efficient event-driven algorithm for
sequential ballistic deposition of complex-shaped
rigid particles. Each of the particles is constructed
from hard spheres (typically 5 … 1000) of variable
radii. The sizes and relative positions of the spheres may mutually overlap and can be
chosen such that the surface of the resulting particle appears arbitrarily smooth. The
proposed event-driven algorithm allows simulations of multi-million particle systems
using desktop computers.
The algorithm is applied to investigate the structural evolution of a nanopowder by
repeated dispersion and settling which can lead to characteristic fractal substructures
with robust statistical properties. \cite{fractal}. It is also applied to very tall disc packings
and very large heaps of simpler particles to reveal unexpected properties of the packing.
The algorithm can be verified by means of Minkowski-Tensor characteristics.
Co-authors: Nikola Topic, Institute for Fluid Mechanics, Universität Erlangen, Germany;
Jason A. C. Gallas, Institute for Multiscale Simulation, Universität Erlangen, Germany
and Departamento de Física, Universidade Federal da Paraíba, João Pessoa, Brazil;
Dietrich E. Wolf, Physics Institute, Universität Duisburg-Essen, Germany

Biography
Thorsten Pöschel is Professor for Multiscale Simulation at the Friedrich-Alexander-
Universität Erlangen-Nürnberg since 2008. Before that, he held various posts at the
University Bayreuth; Charite Berlin; University of California in Santa Barbara; University of
Stuttgart; University of Chicago; Universidad de las Americas in Mexico; John von
Neumann Institute for Computing (NIC) in Jülich; École Supérieure de Physique et Chimie
Industrielle in Paris; and at Saarland University. He graduated in 1990 from the Humboldt-
Universität, Berlin in Theoretical Physics. He is member of the editorial board of "Nature -
Scientific Reports"; editor of “Revista Cubana de Física”, “Computational Particle
Mechanics”, “Granular Matter”; associate editor of “BioSystems”; and member of the
Board of the John von Neumann Institute for Computing at the Research Center Jülich. His
current research topics are granular matter, fluid mechanics, statistical mechanics and
simulation techniques.

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Stefan Radl – Technische Universität Graz, Austria
Title
From No Physics to Full-Physics Simulation of Particle
Drying
Abstract
Wet granulation and particle drying are unit
operations that are of outmost importance for a
number of industrial applications, especially in the
food and pharma sector. In a typical application, a
liquid is sprayed onto a bed of moving or fluidized
particles, and subsequently evaporated or
decomposed.
In these applications a wet gas-particle suspension
must be modelled, including the effects of heating
and phase change (i.e., evaporation and eventually condensation). Simulations of these
processes are extremely challenging due to (i) the large number of particles involved, and
(ii) the lack of adequate closure models (e.g., rheological models of wet granular matter).
Our present contribution has the purpose of (i) enabling coarse-grained parcel-based CFD
simulation of wet gas-particle systems, and (ii) using the output of these intermediate-
scale simulations to formulate device-scale models that can be readily coupled with, e.g.,
flow sheet models. This would enable a rational design, or optimization of wet particulate
processes. Specifically, our present contribution will guide the audience through a journey
on three levels of modelling detail:

• A detailed flow model considering primary particles, and that relies on an Euler-
Lagrange approach (i.e., a classical soft-sphere CFD-DEM approach, see our
previous work [1]), including closures that account for various modes of thermal
transport. This is considered the full-physics level, since key physical phenomena
can be directly predicted.
• A parcel-based (coarse-grained) model that relies on an Euler-Lagrange approach
supplemented by novel interaction laws between parcels (i.e., groups of
particles). This constitutes an intermedia level of modeling detail, mainly to
reduce the computational cost at a moderate loss of model fidelity.
• A novel (0D) compartment model that can be readily integrated into a flow sheet
model for fast predictions and optimization. This is clearly the “no physics” level
of modeling, since gas-particle flow and exchange rates are no longer directly
predicted, but hidden in model assumptions and correlations.

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We will illustrate the above levels of modeling detail with a number of case studies,
including fluidized and fixed beds, as well as simple shear flow considering various modes
of thermal transport. Finally, we will review the progress made in the field of drying
models, as well as outline future model applications in other fields, e.g., additive
manufacturing.

References

[1] M. Askarishahi, M.-S. Salehi, S. Radl, Full-physics simulations of spray-particle

interaction in a bubbling fluidized bed, AIChE J. 63 (2017). doi:10.1002/aic.15616.

Biography
Since August 2018, Stefan is an Associate Professor at Graz University of Technology (TU
Graz, Austria) with a venia docendi for particle technology (habilitation thesis “Micro- and
Mesoscopic Models for Flow and Mixing of Suspensions”). Before that, Stefan acted as an
Assistant Professor at the same institution for five years.
After earning his Master and PhD Degree at TU Graz (supervisor: Prof. Johannes Khinast),
Stefan received an “Erwin-Schrödinger” post-doctoral fellowship of the Austrian Science
Fund, which he used to for a 13 months research stay at Princeton University (New Jersey,
U.S.). During that time his research interest in suspension flow was shaped by Prof.
Sankaran Sundaresan and Prof. Howard Stone.
Stefan was and is active in a number of national and international projects (e.g., the EC
Marie curie ITNs “MatheGram” and “CALIPER”, or the EC FP7 project “NanoSim”) which
are all centered around the modeling of particulate systems and suspensions. His research
can be best summarized as Computational Particle Engineering, including topics such as (i)
clustering in gas-particle suspensions, (ii) aggregation of cohesive particles and fibres, (iii)
heat and mass transfer in suspensions, as well as (iv) the integration of suspension flow
and process models.
Over the past eight years Stefan was involved in the supervision of 12 PhD students (seven
already graduated), and mentored more than 20 Master students during their final
diploma project. He was invited as a guest editor for an edition of the “Computers &
Chemical Engineering” journal, and is active as a reviewer for leading journals such as the
Journal of Fluid Mechanics, Physics of Fluids, the International Journal of Multiphase Flow,
or the Chemical Engineering Journal.

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Franck (Farhang) Radjai – Université de Montpellier,
France; Massachusetts Institute of Technology, USA
Title
When does particle size matter in DEM simulations
of granular materials?
Abstract
As a result of limited available computation time and
memory, the tractable number N of particles in DEM
simulations is often far below the real number of
particles ~ (L/d)3 , where L is a linear dimension of
the system to be simulated and d is the average particle diameter. As the equations of
motion are solved for all particles and the mean values of particle displacement vectors
and contact force vectors can be used to calculate the average strain(rate) and stress
tensors (possibly by applying also smoothing operators) for a rather low number (say 103 )
particles, it is tempting, for the sake of computational efficiency, to keep L at its real value
but increase d in order to reduce the number of simulated particles or to apply the DEM
to solve boundary-value problems (such as debris avalanches or rapid flows in complex
powder treatment units). In this lecture, I discuss three aspects of this issue: 1) Finite-size
effects and requirements for the size of the representative volume element (RVE), 2)
Influence of wall boundaries, and 3) Influence of particle interactions. I show that with
frictional contact interactions and rough walls the linear size L/d of the RVE is an order of
magnitude larger than usually assumed. Then, I consider particle size effects for the elastic
behaviour, brittle behaviour with cohesive forces, inertial flows, immersed flows in a
viscous fluid, wet particle flows and gravitational aggregates. I show that in most cases a
single scaling parameter can be used to elude particle size effects.
Biography
Farhang Radjai is Research Director at National Center for Scientific Research (CNRS) in
France. He is the head of Research Team « Physics and Mechanics of Discrete Materials »
at LMGC, University of Montpellier, and MIT research affiliate at the CNRS-MIT research
group « Multi-Scale Material Science for Energy and Environment ». He graduated in 1995
in theoretical physics and received his PhD on modeling granular materials in University
Paris-Sud. His research has mainly focussed on the rheology of granular materials using
particle dynamics methods and statistical analysis by considering granular microstructure,
stress transmission and kinematic fields as well as particle shapes, particle size
distributions, cohesive contacts, solid bonding, fluid-grain interactions and particle
fracture with applications to communition, powder compaction, inertial flows, avalanche
dynamics and agglomeration.

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Prashant Gupta – Procter & Gamble, UK
Title
Industrial applications of Discrete element method:
challenges and opportunities
Abstract
Bulk solid handling of granular materials presents a
great challenge to industries ranging from
pharmaceutical to FMCGs. P&G is a world leader on
the consumer good products ranging from detergent
“powders” to hand dish “liquids”. Current wok
process for plant scale process design require large
cost pilot scale with very less data obtained to make
a decision. Industries dealing with fluid systems or motor industries have benefitted
heavily moving to a virtual experiment space and invested heavily in R&D to understand
these systems. However, there is a lack of a coherent approach to apply modelling and
simulations tools to study the bulk solid systems. A key milestone which is yet to get
achieved is to establish a suite of validated modelling and simulation tools to capture
underlying physics governed at largely separated length scales.
Discrete element method (DEM) provides an approach to solve the microscopic details
which could correctly capture particle level perturbation manifesting to evolving
macroscopic bulk behaviour. The tool has worked wonders for academic understanding,
however, its usage at industrial scale is difficult to establish. In this talk, we would like to
a) demonstrate usage of DEM to solve industrial problems b) What can we not predict and
is needed? c) Where do we see our future with DEM?
Co-author: Christopher Stoltz Procter & Gamble, USA

Biography
Dr. Prashant Gupta currently work as a scientist for Fabric and Home care division at
Procter & Gamble Technical Centres Ltd, Newcastle Upon Tyne. His main area of expertise
is process design for formulated product with leveraging modelling and simulation tools.
Before joining the company in 2015, Dr. Gupta obtained his PhD in modelling
hydrodynamics of multiphase flows from University of Edinburgh in 2014 and did a year of
Post doc modelling large scale waste water treatment plants at Newcastle University.

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Catherine O’Sullivan – Imperial College London, UK
Title
DEM, dams and dikes
Abstract
Embankment dams and flood embankments are
probably the largest, man-made, structures that
comprise particulate materials (soil). Recognising
the particularly strong history of dike construction in
the Netherlands, this presentation aims to
demonstrate how DEM simulations can be used to
inform the design, construction and ongoing
maintenance of these critical elements of Dutch
infrastructure. The talk will focus on internal
erosion, a phenomenon where water seeping
through the embankment can erode some of the
embankment materials and pose a risk to
embankment integrity.
Two key mechanisms will be considered: (1) the performance of filters which layers of
sand and gravel placed to prevent erosion of low permeability, fine-grained material and
(2) seepage induced internal instability, a mechanism which involves preferential erosion
of the finer grains in the embankment filter and transition materials or in the
embankment foundation.
Considering firstly filter performance, engineers have long recognized the importance of
the size of the narrowest points in the void space, which are called constrictions or pore
throats. Hitherto attempts to estimate constriction sizes have relied on a number of
unproven hypotheses. DEM enables a direct measurement of the sizes of the constrictions
in virtual filter samples. Micro Computed Tomography data can be used to confirm the
relevance of DEM-derived data. Network analysis can be used to understand the basic
mechanisms involved in filter performance.
In a gap-graded material, where there are a mixture of coarse and finer grains, there can
be significant inhomogeneity. The amount of the overall stress transmitted by the finer
grains can be very small, particularly when the proportion of finer grains in the material is
small. Consequently these materials can fail lower hydraulic gradients that are typically
considered safe in engineering design. DEM simulations have been used to examine in
detail the relationship between this stress inhomogeneity and both the proportion of finer
grains and the size of the coarse grains relative to the finer grains. Coupled DEM-CFD
simulations have then confirmed that the proportion of stress in the finer grains
influences the likelihood that these grains will be transported under the action of seepage
flow.

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Biography
Catherine O’Sullivan is a Professor of Particulate Soil Mechanics in the Department of Civil
and Environmental Engineering at Imperial College London. She is a civil engineer
specializing in geotechnical engineering and studied in both University College Cork,
Ireland, as well as the University of California at Berkeley. Her research has primarily
focussed on the behaviour of sand at the scale of the individual particles using discrete
element method simulations complemented with experimental studies. She has
considered the load:deformation behaviour of sand at both large and small strain levels
and internal erosion of dams and flood embankments. She is an editor of the ASCE Journal
of Geotechnical and Geoenviromental Engineering and Associate editor of Soils and
Foundations and Granular Matter. She has contributed to over 85 papers in international
journals and has received funding for her research from the Engineering and Physical
Sciences Research Council, the Leverhulme Trust and the Institution of Civil Engineers.
She delivered the prestigious Géotechnique lecture in 2015 and was awarded a best paper
award by the Japanese Geotechnical Society in both 2018 and 2019.

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Benjy Marks – The University of Sydney, Australia
Title
Hyperspheres in hyperspace
Abstract
The Discrete Element Method has proven to be capable of
serving three distinct purposes. First and foremost, it has been
successfully used to probe the mechanics of granular media and
describe scaling laws for its behaviour. Secondly, it has been
used to simulate directly systems with 'small' numbers of
particles. Finally, the method has been used to augment
experimentally inaccessible regions of phase spaces. Here, we propose a new and vastly
unexplored region of this phase space, namely systems of hyperspheres in spaces with
arbitrary numbers of spatial dimensions. The description of these particles requires new
numerical and technological tools, which will be described in an interactive presentation.
The challenges of visualising higher dimensional spaces will be explored using virtual
reality, and will require significant audience participation.
Co-author: François Guillard, The University of Sydney, Australia

Biography
Dr Marks is a Lecturer in the School of Civil Engineering at The University of Sydney. His
research is based in the mechanics of granular media, in particular the processes of
segregation, mixing and grain crushing. He is involved in developing new X-ray based
techniques for investigating the interior of landslides, and creating new mathematical and
computational tools for understanding their behaviour.
Dr Marks also is part of the team running the Immersive Learning Laboratory at The
University of Sydney. This Lab works to deliver Virtual Reality solutions to educators
around the whole University, both developing content for individual classes and also
managing a physical space where large classes can learn in VR.

16
Christine Hrenya – University of Colorado, USA
Title
Thinking outside of the DEM box
Abstract
DEM is an invaluable tool for the particle technology
researcher. Arguably the most common usage is to
simulate a system setup inspired by an industrial
operation (mixing, granulation, heat transfer, etc.) or
a natural phenomenon (avalanches, asteroid
dynamics, etc.). Oftentimes, the computational
overhead of the ultimate system of interest is
impractical with today’s resources, so we are forced to perform simulations containing
fewer particles. Instead of viewing this a drawback, here we describe a series of case
studies illustrating alternative and novel uses of DEM simulations, both on its own and in
conjunction with other tools. We’ll also consider how this meshes with current industrial
needs, based on a recent survey of a wide range of companies.
Biography
Christine Hrenya is a Professor of Chemical Engineering at the University of Colorado at
Boulder. She holds chemical engineering degrees from The Ohio State University (B.S.
1991) and Carnegie Mellon University (Ph.D. 1996). Her interests lie in the field of
multiphase and solids flows, using a combination of theory, simulation, and experiments.
Recent emphases of the research program include multiphase flow instabilities, cohesive
particles, and gas-solid heat transfer. Prof. Hrenya currently leads a $3.5M U.S.
Department of Energy grant targeted at discrete-particle simulations for the energy
industry, including exascale computation. To date, her research program has resulted in
110 journal papers and 130 invited lectures, and $13M in funding from the U. S. DOE, NSF,
NASA, ACS and industry. Recent recognitions include the 2014 AIChE Lectureship Award
in Fluidization and the 2013 University of Colorado Excellence in Teaching Award.
Professor Hrenya currently serves as an Associate Editor for the AIChE Journal and as an
Editor for Granular Matter. She recently served as the Chair of the 2016 AIChE Annual
Meeting, and has previously served as Chair of the 2006 Gordon Conference on Granular
Flow (Oxford University) and as co-Director of a 2001-2004 GAANN program in Micro- and
Nano-Particle Technology.

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Thomas Weinhart – Universiteit Twente, The
Netherlands
Title
From discrete particles to continuum fields
Abstract
Micro–macro transition methods are used to both
calibrate and validate continuum models from
discrete data, obtained from either experiments or
simulations. Such methods generate continuum
fields such as density, momentum, stress, etc, from
discrete data, i.e. positions, velocity, orientations and forces of individual elements.
Performing this micro–macro transition step is especially challenging for heterogeneous
and dynamic situations.
Here, we present a mapping technique, called coarse-graining, to perform this transition.
This novel method has several advantages: by construction, the obtained macroscopic
fields are consistent with the continuum equations of mass, momentum and energy
balance. Additionally, boundary interaction forces can be taken into account in a self-
consistent way and thus allow for the construction of locally accurate stress fields even
within one element radius of the boundaries. Similarly, stress and drag forces can be
determined for individual constituents, which is critical for several continuum
applications, e.g. mixture-theory based segregation models. Moreover, the method does
not require ensemble-averaging and thus can be efficiently exploited to investigate static,
steady and time-dependent flows. The method presented in this paper is valid for any
discrete data, e.g. particle simulations, molecular dynamics, experimental data, etc.;
however, for the purpose of illustration we consider data generated from discrete particle
simulations of granular mixtures flowing over rough inclined channels. We show how to
practically use our coarse-graining extension for both steady and unsteady flows using our
open-source coarse-graining tool MercuryCG. The tool is available as a part of an efficient
discrete particle solver MercuryDPM (http://www.mercurydpm.org/).

18
Biography
Thomas Weinhart is Assistant Professor in the Department of Thermal and Fluid
Engineering at the University of Twente. He studies granular processes on all scales: he
developed and experimentally validated contact laws for wetting, friction, cohesion and
sintering; established coarse-graining as micro-macro method for extracting local
macroscopic quantities from discrete particle data; modelled granular systems on the
macroscale; and used FEM simulations to predicting the flow behaviour of large-scale
systems. He now develops coupled methods for solving multi-scale, multi-physics
problems, such as liquid migration, segregation of cohesive powders, sintering, 3D
printing, tabletting, and wet granulation. In 2009, he co-founded MercuryDPM, a cutting-
edge open-source software for particle simulations, together with AR Thornton, and leads
the development team. The code has several unique features that make it particularly apt
to simulate complex industrial systems. All his research codes are publicly available in the
software. For commercial use of the software, he co-founded MercuryLab, a spin-off
company providing custom software, training and advice to companies on the design of
process equipment.

19
David Pinson – BlueScope Steel, Australia
Title
A nice picture is truly a great validation
Abstract
Particle simulation approaches to granular research
have developed into sophisticated research and
process simulation tools. The detailed
particle/contact scale information available offers an
unprecedented level detail when needed and the
ongoing development of coarse graining techniques
permits extraction of engineering scale data as required. However, both laboratory and
industrial problems often lack the ability to measure system properties – or at least
measure with the resources available. However, industrial engineers often come to us
with problems where they can visually observe the phenomena they want modelled, but
no means (or budget) for any quantification. In that case, being able to exploit
quantitative information from imaging methods for system validation is critical. In primary
ironmaking, a majority of process problems are really particle problems. Considering some
of the interesting applications of visual comparison and quantification and their
improvement over time hopefully we take new inspiration for how the growing world of
cheap and ubiquitous imaging technology supports particle scale research.
Biography
Dr Pinson has worked on projects for the ironmaking industry for more than 20 years
which is dominated by large-scale multiphase particulate processes. Over the same time
period, particle scale simulation has grown into a fantastic problem solving and design
tool in both a plant operation and asset management context. In these areas he has
worked on many problems of coupled particle-fluid problems, wide size ranges, cohesive
materials and very large time and physical scale problems. These include blast furnace
burden distribution, raceway phenomena, hearth drainage and raw materials handling.
Close collaboration with academic researchers and a long list of hard-working students
has made it possible to tackle the wide range of industrial problems that occur in primary
ironmaking.

20
Jidong Zhao – Hong Kong University of Science and
Technology, China
Title
Multiscale Modeling of Particle Breakage for
Granular Media
Abstract
Particle breakage underpins the operation and
performance in a wide variety of engineering and
industrial processes and applications involving
loading, processing, granulation, crystallization,
solidation, transportation and storage of particulate
materials. Typical examples include milling and
grinding in minerals and mining engineering,
tablet/pill design for transportation, storage and comfort use in pharmaceutical industry,
rock-fill dam construction and maintenance in hydraulic engineering, fault gauge breakage
and slip in geoscience and earthquake engineering. In geotechnical engineering, the
mechanical behaviors of crushable granular sands, such as yielding, deformation,
dilatancy, failure and mobility, are closely related to the breakage of granular sands,
which bear direct relevance to the design and installation of geo-systems such as piles.
Numerical modeling of particle breakage in granular materials is challenging. Commonly
adopted modeling techniques, such as those based on discrete element method,
frequently involve various over-simplifications on aspects such as crushing criteria and
patterns and crushed particles shapes which limit their robustness and efficiency.
This talk introduces a totally new numerical strategy in modeling particle breakage for
granular media. An integrated computational multiscale framework is formulated to
simulate the breakage of granular media subjected to mechanical loading. It features
rigorous coupling of two relatively new computational methods for engineering
communcity, Peridynamics and Physics Engine. The breakage of individual particles in a
granular assembly, subjected to in-situ multiple contacts, is analyzed and simulated by
Peridynamics without artificial presumptions on the probable fracture paths, crushing
patterns and crushed child particle sizes. Rigid body motions of irregularly shaped
particles generated during the crushing and their inter-particle interactions are effectively
modeled by the Physics Engine based on a non-smooth contact dynamics approach which
has been popularly used in video game and animation industries. The hybrid framework
enables rigorous modeling of particle breakage and allows reasonable simulation of
irregular particle shapes during the continuous breakage process, overcoming apparent
drawbacks/challenges faced by many existing methods. The predictive capability of the
proposed method is further demonstrated with simulations of one-dimensional
compression and triaxial shear on crushable sand, where Weibull statistical distribution on
the particle strength is implemented. The simulation results compare favorably with
experimental observations in terms of mechanical responses, particle size distribution,

21
fractal dimension, as well as particle morphology. We further explore the possibility of
further implementing the proposed method into a hierarchical multiscale modeling
framework to simulate engineering-scale boundary value problems where particle
breakage may play a critical role.
Biography
Dr. Jidong Zhao is Associate Professor of Geomechanics in the Department of Civil and
Environmental Engineering at Hong Kong University of Science and Technology. He earned
both his bachelor’s degree and PhD from Tsinghua University and was a postdoc fellow
and university lecture at the University of Newcastle, Australia, before relocating to Hong
Kong in 2008. Dr. Zhao’s research is focused on multi-scale, multi-physics modeling and
characterization of granular media pertaining to applications in geotechnical engineering,
energy extraction, mining, chemical and pharmaceutical industries. He received financial
supports from Australia Research Council, Research Grants Council of Hong Kong, Natural
Science Foundation of China and Croucher Foundation for his research. He was a recipient
of “University of Newcastle Research Fellowship” award (2007), “Computers and
Geotechnics Outstanding Paper Award” (2018) and “Granular Matter Top 5 Cited Article
Award” (2018). He serves as an Editor for Granular Matter (Springer), Associate Editor for
Journal of Engineering Mechanics (ASCE) and an editorial board member for Computers
and Geotechnics (Elsevier) and International Journal for Numerical and Analytical
Methods in Geomechanics (Wiley). He is a core member of two technical committees of
International Society for Soil Mechanics and Geotechnical Engineering (ISSMGE): TC105
Micromechanics and TC103 Numerical Methods in Geomechanics and is a current
member for the Granular Mechanics Committee of Engineering Mechanics Institute (EMI).

22
Abstracts listed by ID

23
7: Large-scale direct numerical simulation for investigating the mesoscale structure in gas-
solid flow
Limin Wang, Wei Ge
Institute of Processing Engineering, Chinese Academy of Sciences, Beijing, China
Keywords LBM-DEM, particle cluster, drag, DNS, gas-solid flow
Abstract A coupled Lattice Boltzmann Method and Discrete Element Method (LBM–DEM) approach
is usually a kind of particle-resolved direct numerical simulation (DNS) algorithms for modeling gas-
solid two-phase flows, in which the size of fluid grid is generally one magnitude smaller than particle
diameter and force acting on particles directly calculated by integrating both viscos force and
pressure gradient force on the particle’s surface. It has been regarded as the most accurate
numerical method for simulation of gas-solid flow. However, the main disadvantage is its huge
computational cost resulting from small grid size and time step limited by Kolmogorov length and
time scales. Only hundreds of particles scale is reported for DNS of gas-solid flow in the latest
literature, which is very different from the number of particles in the real gas-solid flows. In order to
solve the problem of computational speed and scale, an immersed boundary method in framework
of LBM has been adopt to realized the fluid-solid coupling to avoid a stair-step representation of the
solid particles’ surfaces (Wang et al., 2010; Zhou et al., 2011) and the multi graphics processor units
(GPUs) parallel computing of LBM–DEM approach has been implemented. Taking advantage of the
inherent parallelism of LBM and the attractive Flops/Price ratio of GPU, we have implemented 576
GPUs parallel computing on a Mole-8.5 system and conducted the largest scale DNS of gas-solid
suspensions so far, with 1,166,400 solid particles in an area of 11.5cm x 46cm for a two-dimensional
system and 129,024 solid particles in a domain of 0.384cm x 1.512cm x 0.384cm for a three-
dimensional system (Xiong et al., 2012). The scale of DNS data has been reached the size in
traditional computational grid, which implies the really meaningful statistical results from large-
scale DNS of gas-solid flows were obtained for the first time. The effects of mesoscale structure on
the interaction force between gas and solid phases (Zhou et al., 2014) and the statistical properties
of particles (Liu et al., 2017) were explored, which may provide the corresponding constitutive
relation and detailed microscopic information for discrete particle simulation and two-fluid model.
References
1. Limin Wang, Guofeng Zhou, Xiaowei Wang, Qingang Xiong, Wei Ge. 2010. Direct numerical
simulation of particle-fluid systems by combining time-driven hard-sphere model and
lattice Boltzmann method. Particuology, 8: 379-382.
2. Guofeng Zhou, Limin Wang, Xiaowei Wang, Wei Ge. 2011. Galilean-invariant algorithm
coupling immersed moving boundary conditions and Lees-Edwards boundary conditions.
Physical Review E 84, 066701.
3. Qingang Xiong, Bo Li, Guofeng Zhou, Xiaojian Fang, Ji Xu, Junwu Wang, Xianfeng He,
Xiaowei Wang, Limin Wang, Wei Ge, Jinghai Li. 2012. Large-scale DNS of gas–solid flows on
Mole-8.5. Chemical Engineering Science 71: 422–430.
4. Guofeng Zhou, Qingang Xiong, Limin Wang, Xiaowei Wang, Xinxin Ren, Wei Ge. 2014.
Structure-dependent drag in gas-solid flows studied with direct numerical simulation.
Chemical Engineering Science, 116: 9-22.
5. Xiaowen Liu, Limin Wang, Wei Ge. 2017. Meso–scale statistical properties of gas–solid
flow—a direct numerical simulation (DNS) study. AIChE Journal 63:3-14.

24
 10: From DEM to continuum theory for both solid and fluid states
Stefan Luding
University of Twente, Enschede, Netherlands
Keywords
DEM, micro-macro, constitutive modeling
Abstract
In order to understand the fundamental micro-mechanics of particulate and granular
matter, one can use particle simulation methods like DEM, where often the fluid between
the particles is important too. However, large-scale applications (due to their enormous
particle numbers) have to be addressed by coarse-grained models or by continuum
theory. In order to bridge the gap between the scales, so-called micro-macro transition
methods are necessary, which translate particle positions, velocities and forces into
density-, stress-, and strain-fields. These macroscopic quantities must be compatible with
the conservation equations for mass and momentum of continuum theory. Furthermore,
non-classical fields are needed to describe the micro-structure (fabric, force-chains) or the
statistical fluctuations, e.g. of the kinetic energy, before one can reach the ultimate goal
of solving application problems. In this talk, recent progress on DEM based continuum
theory and constitutive modelling will be given, with focus the transition from fluid-like to
solid behavior (jamming) and the reverse (unjamming).

25
 11: Numerical simulation of one dimensional consolidation test of
montmorillonite/kaolinite mixtures using discrete element method
Moein Khabazian1, Ali Asghar Mirghasemi1, Hamed Bayesteh2
1
University of Tehran, Tehran, Iran, Islamic Republic of. 2University of Qom, Qom, Iran,
Islamic Republic of
Keywords
one dimensional consolidation test, montmorillonite, kaolinite, discrete element method
Abstract
In this study, the investigation of volumetric changes in soil containing montmorillonite
and kaolinite and mixtures of the two has been carried out using the discrete element
method (DEM). In order to achieve this goal, seven clay samples containing
montmorillonite and kaolinite were prepared using the DEM by modeling all
physicochemical forces between particles during consolidation testing. Particles were
simulated in both flexible and non-flexible modes. The consolidation coefficients along the
loading and unloading paths were found to be dependent upon the montmorillonite
content of a given mixture. The results of analysis were then compared with those from
laboratory testing.

26
 12: Analysis of Multi-phase Flow in a Packed Bed
Bernhard Peters, Maryam Baniasadi
University of Luxembourg, Luxembourg, Luxembourg
Keywords
Extended Discrete Element Method, multi-physics, multi-scale
Abstract

Multi-phase flow in packed or moving beds such as trickle bed reactors with either co-
current or counter-current flow of gas, liquid and solid phases is apparent in many natural
and engineering applications e.g. chemical and petroleum industries. These applications
belong to the most challenging flow scenarios including a complex interaction between
the individual phases. Flow regimes depend on solid, liquid and gas flow rates in
conjunction with physical properties and determine pressure drop, liquid hold-up, pulsing
or trickling transitions at low and high temperatures or/and pressures. However, these
phenomena are difficult to measure due to sometimes more than hostile operating
conditions. Therefore, numerical approaches are a complementary path to follow and to
gain a deeper understanding of the underlying physics.

The objective of the current contribution is to present a numerical model that resolves the
flow of liquid and gas phases in a packed bed of particulate material. This is achieved with
an Euler-Lagrange framework referred to as the extended discrete element method
(XDEM). It is an extension to the classical discrete element method and describes
additionally the thermodynamic state of individual particles. Particles of a packed bed
experience a strong interaction with gas and liquid phases in the void space of a packed
bed through heat, mass and momentum transfer. Liquid and gas phases are described by
computational fluid dynamics as inter-penetrating and continuous phases. For each
phases set of differential conservation equations is solved and thus, allows treating a wide
range of engineering applications. In the current contribution, the approach is employed
to the lower part of a blast furnace including cohesive zone, dripping zone, dead man and
hearth. An analysis of predicted results contribute to an increased knowledge of the
phenomena taking place during iron production and thus, aim at controlling and
improving the blast furnace process.

27
 14: A combined DEM and XFEM approach for breakage modeling of angular rockfill
materials
Javad Raisianzadeh, Ali Asghar Mirghasemi, Soheil Mohammadi
University of Tehran, Tehran, Iran, Islamic Republic of.
Keywords
Particle breakage; Rockfill; Discrete element method; EXFEM; Crack propagation
Abstract
Particle breakage in two-dimensional angular rockfill materials is simulated using a
combined DEM and XFEM approach. In this approach, the interaction of particles is
simulated by DEM and breakage analysis is carried out on each particle using XFEM.
Simplifying assumptions for the breakage path are eliminated in this approach and the
history of cracking is considered for each particle in the breakage analysis. Simulation of
various laboratory tests on rock samples and biaxial tests on rockfill assemblies show the
ability of the proposed model to capture different aspects of particle breakage and the
behavior of granular materials.

28
 15: Hydrodynamics of Spouted Fluidized Bed with Different Injection Patterns using CFD-
DEM
Behrad Esgandari, Shahab Golshan, Reza Zarghami
University of Tehran, Tehran, Iran, Islamic Republic of
Keywords
Spouted Fluidized Bed, Hydrodynamics, CFD, DEM, Injection Patterns
Abstract
In this research, hydrodynamics of a spouted fluidized bed with different injection
patterns was studied using computational fluid dynamics coupled with the discrete
element method (CFD–DEM). The gas flow was modelled by a k-ε turbulent model and the
motion of particles was predicted using the DEM. Dimensions of the bed were 1 (m)
height, 0.15 (m) width and 0.02 (m) depth which was filled with about 36,500 particles
with 2.53 (mm) diameter. Results of CFD-DEM simulations were validated with
experimental data. After the validation, three different bubble injection patterns were
investigated. First, the motion of a single bubble injection from central inlet was studied.
Second, the motion of multiple sequential bubbles injection from central inlet and
interactions between bubbles was investigated. Finally, the motion of two adjacent
bubbles injection from two inlets and their interactions was simulated. These
configurations are shown in Figure 1. The hydrodynamics of the bed with the mentioned
injection patterns as well as the pressure signals from the bed were studied in this work.

29
16: Segregation of ternary granular mixtures during heap formation in a simplified model of
blast furnace
Sandip H Gharat
Department of Chemical Engineering, Shroff S. R. Rotary Institute of Chemical Technology
Vataria, Ankleshwar - Gujarat 393 135, India
Keywords
Segregation, granular materials, heap, blast furnace
Abstract
Segregation is an important phenomena from industrial point of view. It occurs mainly
due differences in size, shape and density. In this paper, we studied the size segregation
of ternary granular mixtures during heap formation in a simplified model of blast furnace
(2D system). Steel balls of different sizes (1, 2, 3 & 4 mm) are used as model granular
materials. The heap formation take place by repeatedly pouring a fixed mass of the
mixture. The parameters varied in the experiments are the composition of the mixture,
the mass of the mixture poured at a time, the height of the feeding point above the
bottom of the bin and size ratio. Images are captured using high speed video camera.
Images are analyzed to detect the position of each particle in the heap using image
analysis technique (in house code). Results are plotted along the flow direction to get
better insight of segregation pattern formed in each case. In each layer formed by a
pouring, segregation results in the fine (small in size) particles being deposited first,
coarser one in the middle and bigger particle travel more distance and settle in the
opposite end. Each experiment repeated three times to get an average data.

30
 20: Mathematical programming based DEM in geomechanics
Jingjing Meng, Rihong Cao, Hang Lin, Ping Cao
Central South University, Changsha, China
Keywords
Discrete element method; second-order cone programming; computational geomechanics
Abstract
In this paper, a discrete numerical model using second-order cone programming is
presented. The formulation naturally leads to a standard second-order cone program,
which can be solved using efficient optimisation solvers, and a purely static method is
derived that does not require artificial damping parameters. Notably, the approach unifies
two distinct discontinuum approaches: the soft-particle model and the hard-particle
model. The capabilities of the proposed method are demonstrated through a series of
numerical tests.

31
 21: Effect of bond strength on pulverization behaviour of crushable particles under
confined compression
Y.C. Chung, Y.T. Chen, K.H. Chiu
National Central University, Zhongli, Taiwan
Keywords
Crushable particles, confined compression, DEM, contact bond strength, pulverization
behaviour
Abstract
This paper presents a discrete element model (DEM) to simulate the
pulverization behaviour of crushable particles under confined compression. The purpose
of this study is to explore the effect of bond strength on the pulverization behaviour of
crushable particles. The compression system included a thin-walled circular cylinder with
a solid bottom, and a top platen. The circular cylinder was filled with 1000 crushable
particles. Each particle consisted of 12 spheres, which were bound together in HCP crystal
structures by contact-bond model. A load was applied to the assembly of crushable
particles contained in the cylinder by driving the top platen down at a constant
displacement rate. The numerical results reveal that the loading stiffness and the contact
force intensity increase with bond strength, whereas the crack number and the solid
fraction decrease with the increase of bond strength. In addition, the vertical normal
stress increases with bond strength. However, the probability distributions of the contact
forces for the inter-particle and particle-wall contacts do not change with bond strength.

32
 22: Simulation of wet sieving using the coupled DEM-SPH method
Darius Markauskas, Harald Kruggel-Emden
Technical University of Berlin, Berlin, Germany
Keywords
Wet sieving; Coupled DEM-SPH method; Particulate solid-liquid flow
Abstract
Wet sieving is commonly used for accelerating the separation of smaller particles from
other coarser particulate fractions. While sieving under dry conditions is a well
comprehended process, which can be performed in batch or continuous mode, sieving
under wet conditions is yet only understood to a limited degree as the underlying physical
mechanisms become more complicated.

Modelling of dry sieving can be readily performed using the discrete element method
(DEM). Liquid bridge forces should be taken into account when moist particles are
considered. However, the coupled analysis of the solid phase (particles) and the liquid
phase should be considered in case of wet sieving [1]. By coupling the DEM with
appropriate methods of Computational Fluid Dynamics (CFD) like the Smoothed Particle
Hydrodynamics (SPH) [2] it gets feasible to account for sieving under wet conditions.

In the present study, numerical simulations of wet sieving using the coupled DEM-SPH
method [3] are performed (Fig. 1). For validation purposes, a comparison with simulations
derived using Finite Volume Method coupled with DEM is performed. A detailed
representation of the sieve is considered on the DEM side. However, a simplified
representation of the sieve is used on the SPH side as a consequence of the spatial
resolution used to represent the fluid. The effects of operational conditions are
investigated by a series of numerical experiments. The velocity field, the particle spatial
distribution and the residence time are analyzed. Obtained results form the possible basis
to derive process models later on to describe sieving under wet conditions.

References

1. P. W. Cleary, Prediction of coupled particle and fluid flows using DEM and SPH,
Minerals Engineering 73 (2015) 85–99.
2. M. Gomez-Gesteira, R. A. Rogers, R. A. Dalrymple, A. Crespo, State-of-the-art of
classical SPH for free-surface flows, Journal of Hydraulic Research 48 (2010) 6–27.
3. D. Markauskas, H. Kruggel-Emden, R. Sivanesapillai, H. Steeb, Comparative study
on mesh-based and mesh-less coupled CFD-DEM methods to model particle-
laden flow, Powder Technology 305 (2017) 78–88.

33
 23: CFD-DEM model and simulation of fluidization of non-spherical particles in fluidized
bed
Yongzhi Zhao, Huaqing Ma, Zihan Liu
Zhejiang University, Hangzhou, China
Keywords
Non-spherical particle, Super-ellipsoid model, CFD-DEM, Fluidization
Abstract
The fluidization of non-spherical particles is common in some industrial fields such as
biomass utilization. It is well known that CFD-DEM (Computational Fluid Dynamics -
Discrete Element Method) is a powerful tool for studying the fluidization of particle.
However, few researchers have investigated the fluidization of non-spherical particles
using CFD-DEM. In this study, a robust and efficient CFD-DEM algorithm is proposed for
the fluidization of non-spherical particles, in which the non-spherical particles (including
rod-like particles, disk-like particles, tablet particles, and non-spherical particles in other
shapes) are described by super-ellipsoid model, multi-super-ellipsoid model, and multi-
sphere model. The void fraction of the CFD cell and the drag force between the non-
spherical particle and the fluid are calculated by dividing the particle into more than 100
parts to realize the two-way coupling between the non-spherical particles and the fluid
more accurately. To validate the prediction accuracy of the CFD-DEM model, the
simulation results are then compared with the corresponding experiments. The results
demonstrate that the proposed CFD-DEM model has a rather high efficiency and accuracy
for modeling the fluidization of non-spherical particles in fluidized bed.

34
 24: DEM simulation of the coating process of tablets in a pan coater
Yongzhi Zhao, Zihan Liu, Ying You
Zhejiang University, Hangzhou, China
Keywords
DEM, Tablet, Super-ellipsoid, Coating, Non-spherical particle
Abstract
Tablet coating is an important unit operation in the pharmaceutical industry. In this study,
the tablet coating process is investigated based on the Discrete Element Method (DEM),
where the spray droplets are simulated using the Discrete Droplet Method (DDM). The
corresponding experiment is performed in a lab-scale pan coater using the ellipsoidal
tablets to validate the numerical model. Here, the super-ellipsoid model is adopted to
describe the tablets with different shapes (including ellipsoidal tablets, disk-like tablets,
bi-convex tablets, etc.), and the accuracy of the model to simulate the coating process is
verified. Moreover, the effect of coating time, pan rotational speed, pan tilt, spray angle,
spray flow rate and spray droplet diameter size on coating was studied based on DEM
simulations. The simulation results show that the coating variability decreases with the
increase in coating time, pan rotational speed, pan tilt and atomizing gun’s spray angle,
while that increases with the increase in spray rate.

35
 25: Analysis of Multi-phase Flow in a Packed Bed
Bernhard Peters, Maryam Baniasadi
University of Luxembourg, Luxembourg, Luxembourg
Keywords
XDEM, CFD-DEM coupling, multi-physics, multi-scale
Abstract

Multi-phase flow in packed or moving beds such as trickle bed reactors with either co-
current or counter-current flow of gas, liquid and solid phases is apparent in many natural
and engineering applications e.g. chemical and petroleum industries. These applications
belong to the most challenging flow scenarios including a complex interaction between
the individual phases. Flow regimes depend on solid, liquid and gas flow rates in
conjunction with physical properties and determine pressure drop, liquid hold-up, pulsing
or trickling transitions at low and high temperatures or/and pressures. However, these
phenomena are difficult to measure due to sometimes more than hostile operating
conditions. Therefore, numerical approaches are a complementary path to follow and to
gain a deeper understanding of the underlying physics.

The objective of the current contribution is to present a numerical model that resolves the
flow of liquid and gas phases in a packed bed of particulate material. This is achieved with
an Euler-Lagrange framework referred to as the extended discrete element method
(XDEM). It is an extension to the classical discrete element method and describes
additionally the thermodynamic state of individual particles. Particles of a packed bed
experience a strong interaction with gas and liquid phases in the void space of a packed
bed through heat, mass and momentum transfer. Liquid and gas phases are described by
computational fluid dynamics as inter-penetrating and continuous phases. For each
phases set of differential conservation equations is solved and thus, allows treating a wide
range of engineering applications. In the current contribution, the approach is employed
to the lower part of a blast furnace including cohesive zone, dripping zone, dead man and
hearth. An analysis of predicted results contribute to an increased knowledge of the
phenomena taking place during iron production and thus, aim at controlling and
improving the blast furnace process.

36
 26: Strength properties of cohesive self-gravitating aggregates
Emilien Azéma1, Paul Sanchez2, Daniel J. Scheeres3
1LMGC, Université Montpellier, CNRS, Montpellier, France
2Colorado Center for Astrodynamics Research, University of Colorado Boulder, Boulder, USA
3Aerospace Engineering Department, University of Colorado Boulder, Boulder, USA

Keywords
Granular Asteroid, Discrete Element Modeling, Scaling Behavior, Strength
Abstract
Recent space missions and observations have established that most of the Near Earth Objects
(NEOs) are gravitational aggregates likened to a pile of rubble comprising particles of various sizes
(from microns to meters) and irregular shapes, with low, though non-negligible, internal cohesive
strength and varying macro-porosity. This has led to the definition of a “Granular Asteroid” and the
emergence of a new interdisciplinary field of investigation involving Planetary and Granular Matter
scientists. Granular asteroids have large interior voids, which allow them to support large plastic
deformations. Their macroscopic behavior and internal structure are still not well known and how to
predict their mechanical strength, based on their microstructure and dynamics, is still an open
question. However, in view of their discrete nature, it is reasonable to use the theoretical concepts
and numerical tools developed for granular media to study them.

In this work, we used three-dimensional contact dynamics simulations, to analyze the strength
properties and microstructure of a granular asteroid, modeled as a self-gravitating cohesive granular
aggregate composed of spherical particles, and subjected to diametrical compression tests (See
Fig.1). By systematically varying the parameters of the system (shear rate, cohesive forces, asteroid
diameter), we show that both macro- and microstructures can be described by an extended inertial
number that incorporates inter-particle cohesion and gravitational forces, which leads to a generic
dependence of the normalized yield strength and microstructure. From a micromechanical
description of the contact and force networks (See Fig.2), we propose a model that accounts for
solid fraction, local stress, particle connectivity, and granular texture. In the limit of small inertial
numbers, we find a very good agreement of the theoretical estimate of compressive strength,
evidencing the major role of these structural parameters for the modeled granular asteroids.

37
 27: Numerical simulation of fracturing behaviour of pre-cracked crystalline rock using a
cohesive grain-based distinct element model
Mahdi Saadat, Abbas Taheri
The University of Adelaide, Adelaide, Australia
Keywords
Discrete element modelling (DEM), Cohesive grain-based model (CGBM), Crystalline rock
Abstract
Understanding the cracking response of crystalline rocks at mineralogical scale is of great
importance during the design procedure of mining structures. A grain-based distinct
element model (GBM) is employed to numerically study the cracking response of Barre
granite at micro- and macro-scales. The GBM framework is augmented with a proposed
distinct element-based cohesive model to reproduce the micro-cracking response of the
inter- and intra-grain contacts. The cohesive GBM framework is implemented in PFC2D
distinct element codes. The microstructural properties of Barre granite are imported in
PFC2D to generate synthetic specimens. The microproperties of the model is calibrated
against the laboratory uniaxial compressive and Brazilian split tensile tests. The calibrated
model is then used to simulate the fracturing behaviour of pre-cracked Barre granite with
different flaw configurations. The numerical results of the proposed model demonstrate a
good agreement with the experimental counterparts. The GBM framework proposed thus
appears promising for further investigation of the influence of grain microstructure and
mineralogical properties on the cracking behaviour of crystalline rocks.

38
 28: DEM Analysis on Crack Propagation of Rock-Like Material Containing a Single Flaw
Under the Coupling Effect of Water Pressure and Uniaxial Compression
Weibing Cai, Yong Li, Shuchen Li, Weishen Zhu
Shandong University, Jinan, China
Keywords
Rock-like material; Crack propagation; DEM; Flow network; Internal water pressure
Abstract
For a better understanding of the evolution mechanism of crack propagation in brittle
rock mass, the deformation and failure mechanism in rock-like materials (cement mortar
specimens) with a pre-existing single flaw applied by jointly uniaxial compression and
internal water pressure rising from 1 to 4 MPa is investigated based on the discrete
element theory. An improved fluid flow model for low permeability media is proposed
and coupled with a bond-based DEM model to simulate crack propagation induced by
injecting fluid exerting on internal interfaces of the pre-existing flaw under uniaxial
compression by means of modifying the calculation method of interaction between fluid
and particle and optimizing parameters in the fluid domain. The results reveal that the
occurrence of secondary crack without acting water pressure features instant and a large
quantities of micro-cracks with wider than wing crack. Additionally, initiation stress and
peak stress witness a slight rise by around 15% in spite of the dramatic decreasing number
of micro-cracks with the increasing internal water pressure to effectively release the
accumulation of energy between particles in the process of loading, indicating that higher
water pressure can significantly promote crack initiation and propagation. While axial
stress remains dominant in terms of crack propagation and failure patterns at lower
internal water pressures.

39
 29: Development of an automated mobile DEM calibration unit
Fabian Westbrink, Alexander Elbel, Andreas Schwung
South Westphalia University of Applied Sciences, Soest, Germany
Keywords
Discrete Element Method , Bulk Good , Calibration, Multi-objective Optimisation, Mobile
Unit
Abstract
The use of the Discrete Element Method (DEM) for simulating bulk good processes is
already an accepted tool in industry. It is used to analyse behaviour of machines, plants
and processes all over the world with a great diversity of bulk good materials. But to
guarantee valid simulation models, precise and tedious calibration procedures are
required. The desired bulk good is usually transported to qualified laboratories and
calibration scenarios are undertaken for the respective material. Due to changed
conditions between the laboratory and the usage site with e.g. different temperature,
humidity or changed material properties caused by transportation, the whole calibration
yields to insufficient results. To overcome this concern, we present an automated mobile
calibration unit which enables proper calibration on site. The entire unit consist of recent
calibration scenarios to determine the corresponding density, static and dynamic angle of
repose, the friction values and a validation test bench. All calibration scenarios are
embedded into a transportable housing which contains all necessary equipment. The
automated mobile DEM calibration unit is equipped with an HMI which leads through the
different calibration procedures with instructions and default values. All test scenarios are
controlled and observed automatically by an IPC. This shall simplify the complete
calibration procedure and ensure an equivalent calibration independent from the
operator and its background knowledge. After gathering all important information on site,
a multi-objective optimisation algorithm based on recent machine learning algorithms
finds the corresponding material properties like Young´s Modulus or coefficient of
restitution etc. By ensuring only a small number of simulation runs, the optimisation
algorithm finds appropriate physical property values which are later compared with the
validation test bench. The novel development of an automated mobile DEM calibration
unit combines established calibration scenarios wrapped into a mobile device for
determine physical parameters on site and calibration with a suitable optimisation
algorithm.

40
 30: Discrete element damping models and their contribution in the particles flow
Rimantas Kačianauskas1, Ruslan Pacevič 1,2, Evaldas Zdancevičius1,3
1
Vilnius Gediminas Technical University, Vilnius, Lithuania.
2
Kaunas University of Technology, Kaunas, Lithuania.
3
Kelprojektas, Limited, Kaunas, Lithuania
Keywords
Discrete element, damping models, coefficient of restitution, ice particles, piling
Abstract
The Discrete Element Method (DEM) presents a numerical tool widely used for simulation
of various particle systems in many technological areas. Proper evaluation of the inter-
particle contact model plays a critical role in predicting the behavior of the particle
assemblies. In order to increase the simulation accuracy, especially by entering into new
application areas, careful reexamination of existing approaches is required.
Presentation concerns dissipative contact behavior of the spherical viscoelastic particles
and its contribution to the granular flow. The problem is very complex, and several semi-
empirical approaches describing damping in terms of different dashpot constants Cd are
applied in DEM models. The common feature of the existing models is that the energy
dissipated during particles contact is used to be evaluated by the non-dimensional
parameter, the coefficient of restitution (COR), obtained by impact experiments. Here, a
general damping model governed by single non-negative parameter power factor of
contact displacement is elaborated. It will be shown that the most popular Lee-Herrmann,
Kuwabara-Kono (Brilliantov) and Tsuji damping models are particular cases of universal
model. Moreover, new models may be derived in order to fit experimentally observed
variation of the COR. The new model is implemented into original DEM code running in
GPU environment.
To illustrate the issue of different damping models and the contribution of velocity-
dependent effects, the behavior of ice particles exhibiting remarkable sensitivity to impact
velocity is demonstrated by numerical solution of multi-particle systems. Series of
numerical experiments were performed by considering packing, piling and avalanche flow
on the rough inclined plane were performed. Compositions of mono-sizes and bi-
dispersed multi-particle systems containing large number up to 106 particles were
considered.

41
 31: Powder Characterization Flowability at preheating temperature in Additive
Manufacturing
Jiangtao Zhang, Tan Yuanqiang
Huaqiao University, Xiamen, China
Keywords
Additive Manufacturing; powder flowability; preheating temperature
Abstract
Powder flowability characterization methods are important for powder powder spreading
in Additive Manufacturing. These traditional methods for characterizing powder
flowability are all designed for a specific condition and have a strong experience which are
not suitable for powder flowability characterization in Additive Manufacturing. The
temperature has an important effect on powder flowability. Considering the important
effect of temperature on powder flowability, the present study aims to powder flowability
at preheating temperature in AM. In this work, an experimental platform with a heated
rotating drum was built, the camera was used to study the flow pattern of powder in the
heated rotating drum. The nylon and 316L stainless steel powder flowability at different
temperatures are assessed by the statistical analysis of avalanche angles, median
avalanche time, the powder surface fractal and surface linearity, which provides the basis
for the characterization method of powder flowability at preheating temperature.

42
 32: Effect of particle size distribution on compactness of Nylon powder in Additive
Manufacturing
Yuanqiang Tan1, Jiangtao Zhang1, Xiangwu Xiao2
1
Huaqiao University, Xiamen, China
2
Xiangtan University, Xiangtan, China
Keywords
Keywords: Additive Manufacturing; DEM; nylon powder; preheating temperature
Abstract
Nylon powder is a commonly used powder material in Additive Manufacturing whose
fluidity is closely related to temperature. Exploring powder fluidity at preheating
temperature in Additive Manufacturing is the basis for studying the fluidity and spreading
properties of powder in selective laser sintering (SLS) process. Choosing nylon powder in
SLS technology as a raw material and the flow behavior of nylon powder is studied by
Discrete Element Method (DEM), which is a hot topic of numerical simulation and powder
spreading process optimization in Additive Manufacturing. Based on Hertz-Mindlin model,
Hamaker theory model and Coulomb's law, Van der Waals and electrostatic force are
introduced to describe the contact dynamics of nylon powder at preheating temperature.
The DEM model of nylon powder at preheating temperature was established based on the
mechanical parameters and the rationality of the model was verified by comparing with
the experimental results. The effect of powder gradation on the quality of powder bed
will be revealed, and the particle gradation optimization model will be established to
improve the quality of powder bed aiming at promoting the technological progress of AM.

43
 33: The model to simulate interface behavior in the particulate DEM: The particulate
interface model
Chia-Chi Chiu, Meng-Chia Weng
National Chiao Tung University, Hsinchu, Taiwan
Keywords
interface, joint model
Abstract
This research proposed an interface model in the particulate discrete element method to
simulate the mechanical behavior of an interface. The interface is simple to reproduce
qualitatively in the particulate DEM, however, it is hard to simulate quantitatively due to
the randomness of particle arrangement. This research investigates what’s happen during
interface shearing in the particulate DEM and proposed modifications to develop a new
interface model. The simulation results are verified with direct shear test and block sliding
test. The former present the performance in quasi-static state and the latter shows the
simulation behavior under dynamic condition. The simulation results show the particulate
interface model can reasonably reproduce designed interface behavior and is highly agree
with the analytical solution. Compared to the ordinary contact and the smooth-joint
model, it is obvious that the particulate interface model has a better performance in the
validations.

44
 34: Effects of interparticle friction coefficient on the dynamic shear flow behaviour of
granular material in the FT4 Powder Rheometer
Marvellous Khala1, Colin Hare1, Chuan-Yu Wu1, Martin Murtagh2, Navin Venugopal2, Tim
Freeman3
1
University of Surrey, Guildford, United Kingdom.
2
Corning Inc., Corning, USA.
3
Freeman Technology, Tewkesbury, United Kingdom
Keywords
Dynamic friction coefficient, Powder rheology, DEM
Abstract
In quasi-static granular flows, inter-particle frictional forces are dominant due to the
extensive particle coordination but are less dominant for dynamic, rapid flows, due to
increasing bed dilation. However, the coefficients of static and dynamic friction are often
assumed to be the same in Discrete Element Modelling (DEM) of granular materials. The
macroscopic friction value applied in DEM is routinely obtained by iterative variation until
the simulation results mimic experimental data. Although the micro-contact particle
characteristics affect the macro-scale response of granular assemblies, there are limited
experimental studies to quantify the frictional response for particle-particle and particle-
wall micro-contacts, particularly the effect of sliding velocity.

This study focuses on experimentally determining these frictional contact properties for
particle-particle and particle-wall contacts for a range of sliding velocities. Micro-
mechanical sliding tests are conducted using monolayers of dry spherical glass particles
with radii of 63, 125 and 850 μm under constant normal force. The experimental setup is
replicated in DEM, albeit using perfectly spherical particles; as such requiring the
coefficient of sliding friction to be tailored in DEM to match the experimental shear
response. The developed relationship is implemented into a velocity dependent friction
model, to simulate the shear response in the FT4 Powder Rheometer under a range of
strain rates, spanning the transition from quasi-static to dynamic flow regimes. The
predicted torque and force measurements are compared to experimental measurements
of the FT4 Powder Rheometer for validation.

45
 36: DEM Simulation of Mechanofusion System
Sadegh Nadimi1,2, Plamena Pencheva2, Mojtaba Ghadiri2
1Newcastle University, Newcastle upon Tyne, United Kingdom.
2University of Leeds, Leeds, United Kingdom
Keywords Discrete Element Method, Mechanofusion, Particle Dynamics, Stress Analysis, Energy
Consumption
Abstract Mechanofusion is a dry coating method for fine powders in the micron and sub-micron
particle size range[1]. The bulk powder is compressed against a retaining wall by a high centrifugal
force field and is sheared at a high strain rate by a fixed ‘pusharm’, engaging with the bed, thereby
further increasing the compressive force, and shearing it. The use of the centrifugal field does not
allow the bed to get aerated, and therefore the shearing forces acting on individual particles can be
sufficiently high and suitable for dry coating of fine powders by smearing their surfaces with coating
powders, flow aids, lubricants and glidents [2]. It could also even alter the physical and chemical
characteristics of the surfaces. Its application in pharmaceutical engineering has been explored by
Zhou et al. [3] by assessing the extent of coating of fine lactose powders by magnesium stearate
(MgST) powder. The use of MgST is ubiquitous in the pharmaceutical industry as it enhances
powder flowability and tabletting. Therefore the vast range of applications for fine powder
processing raises the demand for detailed knowledge of the system dynamics and factors affecting
the energy requirements and process efficiency. In this study, the mini-mechanofusion system of
Hosokawa Micron is modelled using Discrete Element Method (DEM) at four different operational
speeds. Particle dynamics around the pusharm and velocity profiles before the pusharm and at the
highest compression zone are analysed. Stresses on the pusharm are also quantified and correlated
to the operational speed. The expended energy for this extreme shearing condition is also
quantified and correlated to operational speed.

(a) (b)
Figure 1: (a) Particle dynamics in Mechanofusion process at 2500rpm, compressive forces on each
particle is shown by shade of blue and fixed from 0 to 0.5N; (b) Velocity profiles of four rotational
speed at shown 1 to 18 bins.
[1] Yokoyama T., Urayama K., Naito M., Kato M., Yokoyama, T., KONA 5, 1987.
[2] Alonso M., Satoh M., Miyanami K., Powder Technology, 59, 45 – 52, 1989
[3] Zhou Q., …. Stewart P.J., Morton D.A.V., 2011.

46
 37: Rock failure analysis via DEM-FDM hybrid method during deep tunnel construction in
composite formation
Huaning Wang1,2, Na Che3, Xiaoshu Wang4, Guo Xiao1, Xiang Gao1
1School of Aerospace Engineering and Applied Mechanics, Tongji University, Shanghai, China
2StateKey Laboratory of Disaster Reduction in Civil Engineering, Tongji University, Shanghai, China
3Tongji University School of Aerospace Engineering and Applied Mechanics, Tongji University,

Shanghai, China
4College of Economics and Management, East China Normal University East China Normal

University, Shanghai, China

Keywords tunnel excavation,DEM-FDM,composite formation
Abstract With the further exploration of the underground space, the tunnels are
developed toward to deeper and longer. However, the complex geological conditions in
deep ground, such as the composite formation, will likely bring a series of disaster such as
squeezing large deformation and jamming of Tunnel Boring Machine (TBM) in the process
of tunnel excavation.
In this study, a hybrid model, which combines Discrete Element Method (DEM) and Finite
Difference Method (FDM), is developed to investigate the failure mechanism of tunneling
in composite formations. The close and far regions are respectively calculated by DEM and
FDM, and the two regions are coupled in each time step to satisfy the compatibility
conditions along coupled boundary. A new bond contact model is employed in DEM,
which considers the bond width and thickness, as well as the micro-strength envelopes
obtained from experiments. The tension-compression strength ratio and rock brittle
characteristic can be simulated more properly by this new bond model than the Parallel
Bond Model (PBM).
A circular tunnel excavated in composite formation is simulated by hybrid DEM-FDM
model. Two types of composite formation are employed, i.e., soft and medium hard rock
composition, medium hard and hard rock composition. To investigate the mechanism of
rock failure around tunnels, the failure patterns, bond breakage distribution, contact force
distribution and deformation patterns are analyzed under conditions of various soft/hard
rock combination ratio (Q) and lateral pressure coefficient (K0).
The result reveals that rock failure all occurs in more soft rock, and the bond breakage
number increases with the increase of combination ratio; with the increase of lateral
pressure coefficient, the different failure pattern is observed, and the failure zone is
smallest in case of K0 =1 in soft-medium rock composition cases. Meanwhile, in order to
find out the influence of liners on tunnel deformation, the liner with different thickness is
installed on tunnel boundary. The liner region is simulated by FDM and coupled with DEM
region. The results indicate that both the rock failure and the bond breakage are
effectively controlled.

47
 39: Load distribution within railway ballast: A DEM study considering realistic particle
shapes
Vasileios Angelidakis, Stefano Utili, Vasilis Sarhosis
Newcastle University, Newcastle Upon Tyne, United Kingdom
Keywords
Railway Ballast, Load Distribution, Polyhedral Particles, Realistic Particle Shapes
Abstract
Railroad constitutes a significant part of the linear transportation infrastructure
worldwide, with the majority of regular train tracks lying on ballast layers. To date, ballast
is the least understood element of a rail track and its contribution is considered by the
engineering practice in a qualitative and conservative manner. In this study, new insights
are sought concerning the load distribution within a ballast layer, employing the discrete
element method (DEM). In the simulations performed, a sleeper is placed on a ballast
layer. Ballast is modelled using polyhedral particles, with shapes based on real grains, so
that particle to particle interactions are approximated in a realistic manner. The model is
constructed as a 3D plain strain slice of a standard ballasted cross section, bound by
periodic boundaries along the longitudinal direction of the rail line. The mechanical
characterisation of the material is derived via calibration to available drained triaxial tests
on ballast specimens. The DEM results are compared with the load distribution assumed
in the British Standards and the level of conservativeness of the latter is now assessed in a
quantified manner.

48
 40: A strength formula for soilbags considering the maximum vertical strain
Fan Jia, Si-Hong Liu, Chao-Min Shen
Hohai University, Nanjing, China
Keywords
DEM, Soilbags, Vertical strain, Tensile force, Strength formula
Abstract
Soilbags buried in subgrade can improve the bearing capacity of subgrade and also limit
the vertical settlement. In order to explore the relationship between the compressive
strength of soilbags and the maximum vertical strain, a strength formula for soilbags that
takes the vertical strain into account is derived. A way of modeling flexible bags in DEM
simulations is proposed. The soilbag under vertical compression is numerically simulated
by DEM to verify the derived strength formula. The results indicate that the derived
formula can predict the relationship between the compressive strength of soilbags and
the maximum vertical strain, providing a theoretical basis and design methods for the
promotion and application of subgrades built with soilbags. The study is also beneficial to
the development of the reinforced soil technology.

49
 41: Simulation Analysis and Experimental Evaluation of Travel Performance of Pneumatic
Tire on Pebble Road Based on DEM/FEM
Peng Yang, Mengyan Zang, Haiyang Zeng
South China University of Technology, Guangzhou, China

Keywords
DEM/FEM,granular terrain,Pneumatic tire,single wheel tester
Abstract
A combined discrete-finite element method is proposed to simulate the interaction
between the pneumatic tire and pebble road, where the spherical discrete element
method is used for the pebble particles and the finite element method is used for the
pneumatic tire.Then, based on the self-developed software CDFP, the travel performance
of the pneumatic tire on pebble road at different slip ratios are simulated.In order to
verify the correctness of simulation results, an soil bin test facility was developed.The
results show that the simulated sinkage and gross tractive force are basically
corresponded with the experimental results, and verify the effectiveness of the proposed
discrete-finite element method in studying the interaction between pneumatic tire and
granular terrain.

50
 42: Faster, more flexible, particle simulations: The future of MercuryDPM
Anthony Thornton, Thomas Weinhart
University of Twente, Enschede, Netherlands

Keywords Discrete Element Method; Granular Materials; Open-Source; Simulation

Abstract We focus on the main new developments underway in MercuryDPM. New
features include:
• Deformable clusters (agglomerates) Elementary particles are “glued” together, but
their relative position is not fixed, making the agglomerate deformable and breakable.
• Experimental coarse-graining: Wrappers now exist to analyse data from optical,
positron emission particle tracking, and reflective index matched scanning
experiments. Allowing a much closer (grid-free) comparison with simulation data.
• Melting particles: This is an extension to the previous solid-state sintering model and
allows the particles to form melt layers that can interact. On cooling these melt layers
solidify potentially forming permanent bonds between the particles
• Particle-solid interaction: MercuryDPM can now be coupled with oomph-lib. One of
the new features this allows is surface coupling with FEM walls, i.e, the walls deform in
response to the forces exerted on them by the particles.
• Multi-resolution particle-fluid coupling: A second features the coupling with oomph-lib
enables is a multi-resolution fluid particle coupling. Meaning it adapts between full,
partial and under resolved situations allowing the simulation of particle-fluid coupling
with arbitrary large particle size-distributions.
• Pressure-controlled Lees-Edwards Boundaries: This new boundary allows the user to
specify both a target stress tensor, and a strain rate tensor, at the same time.
• Better hybrid openMP-MPI parallelisation
• STL/STEP readers for reading in industrial geometries
Some of these new features will be demonstrated for industrial relevant examples:
(1) industrial mixers, (2) selective laser sintering, and a (3) tunnel boring machine.

Figure: (left) Industrial mixer with smooth geometric features (centre) melting of additive manufacturing powder
(right) Tunnel boring machine and soil simulated with MercuryDPM

51
 44: Fast, Flexible Particle Simulations: An Introduction to MercuryDPM
Thomas Weinhart, Anthony Thornton
University of Twente, Enschede, Netherlands
Keywords Discrete Element Method; Granular Materials; Open-Source; Simulation
Abstract We introduce the open-source package MercuryDPM we have been developing
over the last few years.
MercuryDPM is an object-oriented C++ algorithm with an easy-to-use user interface and a
flexible core, allowing developers to quickly add new features. It is parallelised using MPI
and is released under the BSD 3-clause license. Its open-source developers’ community
has developed many features, including moving and curved walls (polygons, cone
sections, helices, screw threads, level-set defined, nurbs, etc); state-of-the-art granular
contact models (wet, charged, sintered, cohesive, etc); specialised classes for common
geometries (chutes, hoppers, etc); non-spherical particles (multisphere, superquadric and
bonded particles) general interfaces (particles/walls/boundaries can all be changed with
the same set of commands); restarting; visualisation (xBalls and Paraview); a large self-
test suite; extensive Doxygen documentation; and numerous tutorials and demos.
In addition, MercuryDPM has two major components that cannot be found in other DPM
packages. Firstly, it uses an advanced contact detection method, the hierarchical grid. This
algorithm has a lower complexity than the traditional linked list algorithm for poly-
dispersed flows, which allows for the first time large simulations with wide size
distributions, as shown below. Secondly, it uses coarse-graining, a novel way to extract
continuum fields from discrete particle systems. Coarse-graining ensures by definition
that the resulting continuum fields conserve mass, momentum and energy, a crucial
requirement in continuum modelling. The approach is flexible and the latest version can
model both bulk and mixtures, boundaries and interfaces, time-dependent, steady and
static situations. It is available in MercuryDPM either as a post-processing tool, or it can
be run in real-time, e.g. to define pressure-controlled walls. We illustrate these tools and
a selection of other MercuryDPM features via various applications
Visit http://mercurydpm/.org for more information about MercuryDPM; training and
consultancy is available via our spin-off company MercuryLab (http://mercurylab.org).

Figure: (left) Contact detection via the hierarchical grid: Large/small particles are in separate grids and cross-checked.
(right) For highly polydisperse packings (size-ratio>10:1), a speed-up of 200x is achieved compared to single-grid algorithms.

52
 45: Large-scale DEM-CFD method for a gas-solid flow in pharmaceutical engineering
Yuki Mori1, Chuan-Yu Wu2, Mikio Sakai1
1
The University of Tokyo, Bunkyo-ku, Japan.
2
University of Surrey, Guildford, United Kingdom
Keywords
Eulerian-Lagrangian method, coarse grain model, fluidized bed
Abstract
Large-scale gas-solid systems, such as fluidized bed, pneumatic conveyors and die-filling
are often encountered in pharmaceutical processes. To understand the complex
phenomena related to the gas-solid flows, numerical simulation is frequently employed.
The DEM-CFD method, where discrete element method (DEM) and computational fluid
dynamics (CFD) are coupled, is a standard method for the numerical simulations of gas-
solid flow. In previous studies, adequacy of the DEM-CFD method has been validated.
Although the DEM-CFD method is established, it has a critical problem from a viewpoint of
restriction of calculated particles. In order to overcome this problem, the coarse graining
DEM, where a coarse grain particle represents a crowd of original particles, is developed.
Accuracy and efficiency of the coarse graining DEM have been revealed in a simple gas-
solid flow system. In the present study, the coarse graining DEM is shown to simulate
large-scale pharmaceutical gas-solid flow systems. In order to prove the applicability of
the coarse graining DEM, the validation tests are performed in typical pharmaceutical
processes, such as fluidization with inserted tubes and powder flow into a confined space.
The validation results indicate that the macroscopic behavior of particles and gases well
agree between the simulation and experimental results. Consequently, we conclude that
coarse graining DEM is applicable to simulate large-scale pharmaceutical gas-solid flow
systems.

53
 46: Energy transfer and dispersion relation in granular materials from the perspective of
Fourier transform
Xihua Chu, Jiao Wang
Department of Engineering Mechanics, Wuhan University, Wuhan, China
Keywords
granular materials, discrete element method; wave propagation
Abstract
In this study, we investigated the dynamic response of granular materials from the
perspective of Fourier transform. The frequency components of the stress wave were
analyzed. The exponential relationship between particle acceleration (contact force) and
the excitation frequency was derived to illustrate the mechanism of the effect of
excitation energy on particle contact force. Then according to the average wave velocity in
the granular assemblies, the dispersion relation was derived. Finally, by specifying a
number of frequency values, the variation of the wave number with the particle
microstructure (i.e. the radius ratio) is analyzed. Our research reveals the energy
propagation process through the contact between particles within granular materials. Our
research results can be a reference for material design using granular materials for energy
collection, energy absorbing etc.

54
47: Numerical modelling of cone penetration test using Boundary-spheropolygon element
method
Yupeng Jiang, Fernando Alonso-Marroquin
School of Civil Engineering, The University of Sydney, Sydney, Australia
Keywords
Boundary-spheropolygon element method, cone penetration, particle breakage, energy-
based replaceable particle
Abstract
The two-dimensional boundary-spheropolygon element method (BSEM) is applied for
simulating the cone penetration test (CPT). This study aims to investigate the sub-particle
stress under the compression of the cone and the effect of particle breakage on the tip
resistance. BSEM combines the boundary element method (BEM) and the spheropolygon-
based discrete element method (SDEM). The interaction between particles is simulated
via the SDEM, and the sub-particle stress is calculated by BEM. In this study, the DEM
model is generated with irregular particles using a Voronoi diagram. The breakage of the
particles is governed by sub-particles stress and Mohr-Coulomb criterion. The replacing
scheme for broken particles uses an innovative energy-based algorithm, which could
effectively capture the geometrical features of the broken particle. This scheme also
minimizes the change of mass and void ratio after the replacement. The tip resistance is
simulated for both breakable and unbreakable DEM model to clarify the influence of the
particle fragmentation during the penetration process. The spatial pattern of breakage
events and sub-particle stress near the cone are also investigated. The results show a
good agreement with existing numerical results. It further reveals the fundamental
mechanism for CPT and the induced breakage during the penetration.

55
 48: Investigating the non-uniqueness of critical solid fraction considering boundary
conditions and strain rate effects
Mingze Xu1,2, Xin Huang1,2, Zixin Zhang1,2, Kevin J. Hanley3
1
Department of Geotechnical Engineering, Tongji University, Shanghai, China
2
State Key Laboratory of Geotechnical Engineering, Ministry of Education, Tongji
University, Shanghai, China
3
School of Engineering, Institute for Infrastructure and Environment, The University of
Edinburgh, Edinburgh, United Kingdom
Keywords
strain rate dependency, jamming transition, force chain
Abstract
Jamming is a broad concept that is related to a variety of phenomena in our daily life. It
also refers to an important physical phenomenon that distinguishes solid phase from
liquid phase, which has been profoundly investigated in recent years. It has been
observed in the literature that the critical solid fraction (ϕJ) which marks the jamming
transition in the jamming diagram is not unique but can be influenced by a number of
factors including strain rate and boundary conditions. So far, none of the existing
researches have given satisfactory explanations to the physical origin of the non-
uniqueness of ϕJ. In this study, the non-uniqueness of ϕJ was examined through Discrete
Element Method (DEM) simulations. Isotropic compressions at different loading rates
were performed on samples composed of frictionless spherical particles bounded by
periodic boundaries and rigid-wall boundaries. Specifically, for each boundary condition,
samples at a given solid fraction are generated and compressed isotropically at different
loading rates until they reach a jammed state. The critical solid fraction (jamming density)
is determined based on two critical principles, i.e., the coordination number Z=4 and
percolation analysis proposed by Bi et al. (2011). The relationships between the confining
pressure P, the coordination number Z, critical solid fraction ϕJ and loading rates are
analyzed. The results of different boundary conditions are compared. In the rigid-wall
boundary condition, there exists a power law relationship between ϕJ and loading rates.
While in the periodic boundary condition, although the ϕJ value varies with loading rates,
no clear relationship between ϕJ and strain rate can be observed. Special attentions are
paid to the generation process of the major force chain. A new parameter which is
defined as the ratio between the number of particles contacting the boundary in the
major force chain and the total number of particles in the major force chain is proposed to
evaluate the stability of the major force chain. This new parameter can also help explain
the difference of the force chain generation processes and strain-rate dependency of
ϕJ between the different boundary conditions.

56
 49: DEM simulation of different types of railway ballast under shear and compression
Bettina Suhr, Klaus Six
Virtual Vehicle Research Center, Graz, Austria

Keywords DEM simulation, Railway ballast, Model validation, Particle contact modelling

Abstract For the validation of a DEM model several topics have to be addressed. Particle shape representation,
contact modelling and parametrisation using principal experiments are the key influence factors for prediction
quality. Regarding the simulation of railway ballast, in the literature there exist many works focussing on particle
shape modelling while using simple contact laws, e.g. Cundall’s linear spring model or the simplified Hertz-
Mindlin law. This contribution aims to follow a balanced approach. Particle shape modelling is kept simple:
clumps composed of two or three spheres will be used. A more advanced contact model, the Conical Damage
Model (CDM) [2], is applied, which incorporates additional physical effects, such as edge breakage or yielding.
For the parametrisation two different load cases are considered: uniaxial compression tests and direct shear
tests. Due to the simple shape representation the resulting DEM model is computationally efficient.

The authors followed the described approach in [3] and [4]. In [3], uniaxial compression tests and direct shear
tests taken from literature, [1], were considered. In [4], own uniaxial compression and direct shear tests were
conducted for two different types of railway ballast. The experimental results are openly available at zenodo.org
(https://doi.org/10.5281/zenodo.1423742).
Thus, the available experimental results cover three different types of railway ballast, at different initial
porosities and at different applied stresses. The conducted DEM simulations will be summarised and analysed. In
all cases the same behaviour is seen: For the simple clump shapes, combined with the simplified Hertz-Mindlin
law, it is not possible to find a set of parameters such that simulation and experiments are in good accordance.
On the contrary, when the CDM model is used, the model can be successfully parametrised, such that simulation
and experimental data agree well for both compression and direct shear test. From these results the authors
conclude that the CDM model seems to be well suited for the simulation of railway ballast.
This contribution concludes with an outlook on future work, regarding DEM model validation.

Figure 1: DEM model and comparison of simulation and experimental results for one type of railway ballast, [4].

REFERENCES
[1] C. Coetzee, “Calibration of the discrete element method and the effect of particle shape”, Powder Technology, 297, 50–70
(2016).
[2] J. Harkness, A. Zervos, L. Le Pen, S. Aingaran and W. Powrie, “Discrete element simulation of railway ballast: modelling cell
pressure effects in triaxial tests”, Granular Matter, 18, 1–13, (2016).
[3] B. Suhr, K. Six, “Parametrisation of a DEM model for railway ballast under different load cases”, Granular Matter, 19, 64,
(2017).
[4] B. Suhr, S. Marschnig and K. Six, “Comparison of two different types of railway ballast in compression and direct shear tests:
experimental results and DEM model validation”, Granular Matter, 20, 70, (2018).

57
 50: A Hybrid approach to include fluid contribution to conductive heat transfer in dense
granular systems
Andrew Hobbs1,2, Jin Ooi2
1Astec, Inc., Chattanooga, TN, USA
2University of Edinburgh, Edinburgh, United Kingdom
Keywords Granular Heat Transfer, Conduction, Multi-scale, CFD, DEM, Granular Bed
Abstract Heat transfer in a granular medium is an important mechanism in many industrial
applications. For some applications conduction is the dominant mode of heat transfer. There are
many proposed models to describe particle scale conduction both between particles (particle-
particle) and also walls (particle-wall). Within these conduction models are several distinct modes:
conduction through physical contact [1], conduction through surface roughness [2], and conduction
through the stagnant gas film surrounding each particle often called particle-fluid-particle or
particle-fluid-wall conduction [3]. For materials with low thermal conductivity, the gas film
conduction through interstitial gases is the dominant mode of heat transfer [4]. While gas film
models have been well developed in literature [3,4], the applicability of these models to dense
systems is doubtful given that these models are derived from an isolated, binary particle
collision. In this work we adopt a multi-scale approach to investigate the contribution of interstitial
gases to overall heat transfer in a randomly packed bed using CFD with both the particles and fluid
fully resolved in the mesh. Based on the results we propose a new dimensionless variable which we
call the proximity number which describes the relative closeness of neighbouring particles within
some screening distance. The proximity number is shown to provide a good correlation between
the packing structure and the relative contribution of the fluid to the overall heat transfer. When
combined with the particle-wall gas film model [4], the proximity number approach is shown to
closely match the net heat flux and temporal temperature evolution of the resolved CFD simulations
for both adiabatic and heated wall boundary conditions. Using this hybrid approach provides the
opportunity to include the fluid effects in a particle based DEM calculation without the need to
explicitly include the surrounding fluid thereby reducing the computational effort required to
accurately represent these systems. This computational advantage becomes important when
dealing with large particulate systems where the particle dynamics dominates the system behaviour
and the ability to model the fluid effects without explicitly modelling the fluid phase makes the
problems tractable without being computational prohibitive. For the representative packed beds in
this study, we show that the computational time is reduced from days for the resolved CFD
approach to minutes using the hybrid proximity approach with negligible difference in the predicted
net heat flux.
REFERENCES
[1] Batchelor, G.K. and O'brien, R.W., 1977, July. Thermal or electrical conduction through a granular material. In
Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences (Vol. 355, No.
1682, pp. 313-333). The Royal Society.
[2] Bahrami, M., Yovanovich, M.M. and Culham, J.R., 2006. Effective thermal conductivity of rough spherical
packed beds. International Journal of Heat and Mass Transfer, 49(19), pp.3691-3701.
[3] Rong, D. and Horio, M., 1999, December. DEM simulation of char combustion in a fluidized bed. In Second
International Conference on CFD in the Minerals and Process Industries CSIRO, Melbourne, Australia (pp. 65-70).
[4] Morris, A.B., Pannala, S., Ma, Z. and Hrenya, C.M., 2015. A conductive heat transfer model for particle flows
over immersed surfaces. International Journal of Heat and Mass Transfer, 89, pp.1277-1289.

58
 51: Discrete element simulation of wire-mesh retaining systems: An insight into the
mechanical behaviour
Fabio Gabrieli, Antonio Pol
ICEA dept. - University of Padova, Padova, Italy
Keywords
wire-mesh, discrete element, soil-structure interaction, anchored flexible facing
Abstract
The use and application of wire-mesh retaining systems have experienced a significant
growth in the last decades combining their high resistance capacity with the low
environmental and visual impact. However, the design techniques still be very simplified
and based on field experience because of the complexities in their modelling and a lack of
field performance data about their mechanical behaviour. These structures are classically
designed using a limit equilibrium approach under strong assumptions on the system
behaviour. The interaction between the mesh and the retained material is poorly
schematized and the mesh is often considered as a constant and uniform pressure along
the slope.

Advanced numerical methods can help to enhance the understanding of mesh systems
permitting the analysis of specific aspects which are non-trivial to measure
experimentally. The discrete element method (DEM) has proved to be very efficient in
simulating rockfall barriers permitting investigations in large deformation conditions and
to handle local ruptures. Recently, the same approach has been extended to wire-mesh
retaining systems.

In the present study, the interaction between a mesh system and a granular soil is
simulated in order to highlight the potential of a micromechanical approach. The mesh is
represented as a connection of distinct cylindrical elements with specific tensile behaviour
directly derived from experimental tests. Instead the soil is schematized using spherical
particles of different sizes. Representing the mesh as a discontinuous structure, permits to
consider a more realistic interaction at the soil-mesh interface. Furthermore, it allows to
evaluate the influence of the constraint system and the possible interactions between
different mesh elements (e.g. cables, connections, etc.). Another important feature of this
approach is the possibility to characterize the mechanism of progressive activation of the
mesh response with the displacement of the system.

The final aim of this study is to provide detailed information on the mechanical behaviour
of wire-mesh systems which can be used as guidelines in the optimization of the design
methodologies.

59
 52: Overview of GranOO, a versatile opensource DEM code
Damien André1, Jérémie Girardot2
1Univ. Limoges, IRCER, UMR CNRS 7315, Limoges, France
2Arts et Métiers ParisTech, I2M bordeaux, Bordeaux, France
Keywords opensource, dem, c++, python, development
Abstract In this presentation, the free and open-source DEM code named "Granular Object Oriented
code" (GranOO) will be introduced. GranOO is a robust and versatile workbench able to build 3D
dynamic simulations.
The design of GranOO promotes versatility. This is perfectly adapted to conduct non conventional
DEM simulations for research activities. In fact, GranOO is not a software. GranOO is a collection of
C++ libraries and tools that help users for building a specific DEM simulation. Python bindings have
been recently released. This modular architecture helps users to build their own simulations by
plugin specific treatments in any order.
GranOO mainly focuses on the simulation of pseudo-continuum brittle elastic media such as
concretes, rocks or ceramics. It embeds thermo-mechanical original approaches closed to Lattice
Element Model (LEM) based on the cohesive beam model [1] and virial stress computation [2]. In
addition, GranOO offers state-of-art detection collision algorithm with arbitrary convex shapes.

[1] André, D., Iordanoff, I., Charles, J. L., & Néauport, J. (2012). Discrete element method to simulate
continuous material by using the cohesive beam model. Computer Methods in Applied Mechanics
and Engineering, 213, 113-125.
[2] André, D., Jebahi, M., Iordanoff, I., Charles, J. L., & Néauport, J. (2013). Using the discrete
element method to simulate brittle fracture in the indentation of a silica glass with a blunt indenter.
Computer Methods in Applied Mechanics and Engineering, 265, 136-147.

60
53: Influences of operating parameters on the fluidized bed coal gasificationprocess: A
coarse-grained CFD-DEM study
Junjie Lin, Kun Luo, Chenshu Hu, Shuai Wang, Jianren Fan
Zhejiang University, Hangzhou, China
Keywords
Bubbling fluidized bed; Coal gasification; Back-mixing; Solids mixing; Coarse-grained CFD-
DEM
Abstract
A comprehensive coarse-grained computational fluid dynamics and discrete element
method (CFD-DEM) is developed for modeling the fluidized bed gasifier. Based on the
model validations against experimental measurements, a series of simulations are
conducted to investigate the effects of different operating parameters on the coal
gasification in a bubbling fluidized bed. This study offers new insights into the effects of
gas-solid mixing on the gasification reaction. The results show the non-uniform spatial
distributions of the gasification rate in both the horizontal and vertical directions, which
reflects the preferential distribution of fuel particles. It is found that the gas back-mixing
plays an important role in controlling of the pyrolysis gas combustion, which is undesired
for producing gasification products. The results show that the sand particle size has the
most remarkable effect on the gas back-mixing. Though the uniformity of the fuel particle
distribution is not a key factor influencing the average product yields, the horizontal fuel
particle mixing is found to be the main cause of the fluctuations of the gasification rate.
Fundamentally, it is demonstrated that the fluctuations of the horizontal fuel mixing are
mainly dominated by the bubble behaviors.

61
 54: A LBM–DEM Coupled Approach for Fast Simulation of Particle-Fluid Two-Phase Flows
Limin Wang
Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China
Keywords
LBM, DEM, Discrete particle simulation, Particle-fluid flows, Computational multiphase
flow
Abstract
A coupled Lattice Boltzmann Method and Discrete Element Method (LBM–DEM) approach
is usually a kind of direct numerical simulation (DNS) algorithms for modelling particle-
fluid two-phase flows, in which the size of fluid grid is generally one magnitude smaller
than particle diameter and force acting on particles directly calculated by integrating both
viscos force and pressure gradient force on the particle surface. However, DNS algorithm
is still formidable to simulate the hydrodynamics of an industrial fluidized bed due to huge
computational cost. In this work, we present a fast discrete particle simulation algorithm
for LBM-DEM modelling of particle-fluid two-phase flows at particle scale. The proposed
LBM-DEM coupled approach (the size of fluid grid is one magnitude larger than particle
diameter) describes the flow and transport behaviors by the LBM, tracks the motion of
particles by the DEM, and utilizes the energy-minimization multi-scale (EMMS) drag for
correcting the interaction between gas and solid particles to improve the simulation
accuracy. Fast fluidization in a riser is successfully simulated and the results are in good
agreement with experimental data. The numerical results show that the proposed LBM-
DEM method can be a powerful tool for exploring lab-scale gas-solid systems.

62
 55: Investigation of dynamic mooring forces and motion responses of moored floating
body using MPS-DEM coupling method
Yijie Sun, Guang Xi, Zhongguo Sun
Xi’an Jiaotong University, Xi’an, China
Keywords
MPS; DEM; FSI; moored floating body
Abstract
The interaction between the free surface and the moored floating body with restriction of
the mooring rope is a typical strongly nonlinear FSI problem. The wave provides the
driving force and the mooring rope gives the restrictive condition. In order to simplify the
interactions between the wave, the floating body and the rope, hypothesis were usually
proposed as the mooring rope was very thin and the mass of which could be neglected.
Based on this theory, the interaction between the mooring rope and the wave is ignored
no matter the rope is slack or stretched during calculation. However, in reality, the
mooring rope is usually made to be heavy to decrease the influence of wave impact and
to limit the motion of floating structure.

In this paper, the hypothesis is canceled, and the interactions among the wave, the
mooring rope and the floating body are all considered. To solve this complex problem, a
fully Lagrangian coupled method has been developed to analyze the motion response of
the moored floating body under wave impact. The Moving Particle Semi-implicit (MPS)
method has been applied to model the fluid domain, while the Discrete Element Method
(DEM) with a parallel bond model is used to represent the floating body and the mooring
rope. An FSI model is established by coupling the MPS and DEM method.

A bending cantilever beam case is carried out to validate the DEM model for deformable
mass. The results show that the present DEM method can calculate the forces and the
deformation of the flexible structure correctly. Furthermore, the dynamic mooring forces
and the motion responses of a moored floating body under wave impact are calculated
using the coupled method. The motions and deformation of the floating body and the
mooring rope are shown in time series, and the influence of different mooring systems on
the floating body is discussed.

63
 56: Application of DEM in geogrid-soil interaction
Zhijie Wang1,2, Martin Ziegler2, Guangqing Yang1
1
Shijiazhuang Tiedao University, Shijiazhuang, China
2
RWTH Aachen University, Aachen, Germany
Keywords DEM, Geosynthetics, Geogrid–soil interaction, Load transfer, Visualization
Abstract Due to the economic and ecologic advantages of geogrids, this kind of
geosynthetic material has been widely used in practice to reinforce various soil structures.
Geogrid reinforcing effects are achieved via the interaction of geogrids with the
surrounding soil. In order to improve the understanding of geogrid–soil interaction,
discrete element modeling was carried out in this study.
In the numerical modeling of unbonded soil particles, a new iterative approach was
suggested for the determination of reasonable 2D porosities in DEM studies. In the DEM
investigations of geogrids, a piecewise linear model was developed to characterize the
nonlinear tensile behavior of geogrids.
Based on the developed models of soil and geogrids, the geogrid–soil interaction was
investigated under different experimental loading conditions. In the numerical compound
tensile tests, the frictional interaction between one geogrid tensile member and soil was
visualized by the force development and soil particle rotations in the specimen. Based on
the discrete element modeling of geogrid pullout tests, the bearing resistance achieved by
the geogrid transverse members was obtained. The numerically obtained normal stress
distribution in the geogrid plane was found to vary with increasing clamp displacement
but on average in agreement with the prescribed normal stress. Moreover, the DEM
investigation results also illustrated the influences of rigid and flexible top boundaries on
the geogrid pullout behavior. In the DEM investigations of biaxial compression tests, the
compound stress–strain behavior of geogrid reinforced specimen was significantly
improved with increasing number of geogrid longitudinal and transverse members. The
geogrid reinforcement mechanisms were visualized by the kinematic behavior and load
transfer behavior of unreinforced and reinforced specimens.
Besides the DEM investigations under each single experimental load, the developed DEM
models were applied in the numerical modeling of real geogrid reinforced soil structures
under combined loading conditions. The geogrid reinforcing effects in such practical
loading conditions were visualized by the responses of soil and geogrids.

The DEM simulation results of this study demonstrate that PFC2D can be used as a
practical tool to investigate the complex interaction between geogrid and soil. The
visualization results provide researchers detailed insights into the geogrid–soil interaction
and an improved understanding of geogrid reinforcement mechanisms at a microscopic
scale under different loading conditions.

64
 57: Numerical Investigation of Wire Icing Mechanism Using Particle Method
Qixin Liu, Zhongguo Sun, Yijie Sun, Kai Zhang, Guang Xi
School of Energy and Power Engineering, Xi’an Jiaotong University, Xi'an, China
Keywords
Wire icing, Heat transfer, Phase change, Moving particle semi-implicit method
Abstract
Wire icing by frozen rain in winter is harmful which would heavily increase the load of
wires and even break down the power line and tower. Mechanism study of wire icing
using numerical method is helpful to understand the phenomena and find out ways to
reduce the hazard. A typical particle-based method, an improved moving particle semi-
implicit (MPS) method was proposed to reproduce the process of heat transfer with phase
change. The improved MPS method includes a heat transfer model to calculate the
liquid/solid temperature field, and a phase transformation model to track the phase
interface. The cases of droplet’s impacting on a cold plane surface/cylindrical wire, and
the accumulation and solidification of multi-droplets on rigid surface were calculated and
investigated. The results are consistent with the numerical and experimental data in
previous researches. The validated models and methods were employed to study the
mechanism of wire icing, important factors such as the temperature distribution, the
solidify position and the layer stacking principle etc. were discussed.

65
 58: Numerical simulations of shock waves attenuation by granular materials
Kun Xue
Beijing Institute of Technology, Beijing, China
Keywords
MP-PIC, five-equation model, shock interaction with granular materials
Abstract
The dynamical behavior of granular media subjected to unsteady pressure loadings is one
of the most fundamental problems in the mechanics of multiphase flows. Yet the
phenomenon is not fully understood in terms of how the shock attenuation is affected by
the compression of solid phase and the gas filtration. Numerical investigations ought to
properly account for the momentum and energy transfer between phases. Coupling the
five-equation model for the multi-species compressible gases and the MP-PIC model for
the particle phase, we numerically investigate the shock propagation through a column of
particles. The pressure profiles inside and downstream are obtained to access the
attenuation performance of the particle columns consisting of different particle size and
packing fraction. The simulations reconstruct the curves of the dynamic compression and
the pattern of gas filtration, which are found to have significant influences on the
attenuation performance of granular materials.

66
 59: A DEM Insight on Manipulating Friction by Rail Sanding
Sadegh Nadimi1,2, William Skipper3, Mojtaba Ghadiri2, Roger Lewis3
1Newcastle University, Newcastle upon Tyne, United Kingdom
2University of Leeds, Leeds, United Kingdom
3University of Sheffield, Sheffield, United Kingdom

Keywords Rail Sanding, Particle Characterisation, Tribological Testing, Discrete Element Method
Abstract Rail Sanding is a common practice in the railway industry to manipulate the friction at the
wheel-rail interface during both braking and traction [1]. Although sanding has been widely
accepted as an effective material, in particular for contaminated conditions such as leaf films on the
line, there is a lack of understanding on the influence of the sand characteristics.
In this study, a tribological testing method, called High Pressure Torsion (HPT) [2], is modelled using
Discrete Element Method (DEM). The HPT method is a means of quantifying the friction between
two specimens, in presence of third body materials. In this approach, the torque required to gently
twist a specimen in contact with another specimen under a given normal pressure in an annulus is
measured. This allows the calculation of shear stresses in the contact and therefore
characterisation of the friction. Here, the specimens are made from wheel and rail materials and
the third body material is a different type of sand particles.
To systematically study the mechanisms of traction enhancement of sand particles in the rail-wheel
interface, a DEM model is developed which allows incorporation of different particle shape and the
breakage of particles under loading (see Figure 1). The role of particle morphology, i.e. size and
shape, is evaluated and compared with previous experimental studies [3]. Further work will
investigate extending the range of particles properties, such as material strength and fracture
energy with the ultimate aim of enhancing the current engineering guidelines.

(a) (b)
Figure 1: DEM Simulation of High Pressure Torsion (HPT) test, (a) before contact, (b) after contact
showing particles fragments.
[1] Lewis, R. and Olofsson, U. eds., 2009. Wheel-rail interface handbook. Elsevier.
[2] Buckley-Johnstone, L., 2017. Wheel/Rail Contact Tribology: Characterising Low Adhesion
Mechanisms and Friction Management Products (Doctoral dissertation, University of Sheffield).
[3] Arias-Cuevas, O., Li, Z. and Lewis, R., 2011. A laboratory investigation on the influence of the
particle size and slip during sanding on the adhesion and wear in the wheel–rail contact. Wear,
271(1-2), pp.14-24.

67
 60: A Modular and Extensible Software Architecture for Particle Dynamics
Sebastian Eibl1, Ulrich Rüde1,2
1Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany
2CERFACS, Toulouse, France

Keywords
Particle Dynamics, Flexible Software Architecture, High Performance, Open Source
Abstract
To create a highly parallel and flexible discrete element software, expertise from different
disciplines is needed. On the one hand domain specialists provide interaction models between
particles. On the other hand high performance computing specialists optimize the code to achieve
good performance on different hardware architectures. In particular, the software must be carefully
crafted to achieve good scaling on massively parallel supercomputers. Combining all this in a flexible
and extensible, widely usable software is a challenging task.

Here we outline the design decisions and concepts of a newly developed particle dynamics code
MESA-PD that is implemented as part of the waLBerla multi-physics framework. Extensibility,
flexibility, but also performance and scalability are primary design goals for the new software
framework. In particular, our modular architecture is designed such that physical models can be
modified and extended by domain scientists without understanding all details of the parallel
computing functionality and the underlying complex data structures that are needed to achieve
good performance on current supercomputer architectures. The code will soon be released as open
source under GPLv3 within the publicly available waLBerla framework (www.walberla.net).

The architecture of MESA-PD is centered around advanced abstractions. For example, new powerful
interfaces have been designed to decouple the domain partitioning from the rest of the code. This
makes domain partitioning more flexible and allows to support a variety of partitioning schemes
that only need to adhere to certain functionality requirements. In particular, they can now be
adapted to cooperate with other simulation software in multi-physics scenarios when a coupling
between different simulation software is required.

To simplify the task of implementing new particle interaction models we have separated this
algorithmic functionality into separate kernels. This way they can be programmed without touching
and understanding the rest of the framework. These kernels are connected to the data structures
via abstractions which allows to change the data structures without changing the kernels.

As a new software engineering methodology, we also generate parts of the code. In particular, the
data structures and communication routines are generated automatically. This allows an easy
adaption to the special use case of an application. Also additional data can be appended to the
particles and synchronized without much effort.

68
 61: Numerical simulation of powder filling into complex shaped dies using the discrete
element method
Yuki Tsunazawa1, Yusuke Shigeto2, Chiharu Tokoro3, Mikio Sakai4
1
Geological Survey of Japan, National Institute of Advanced Industrial Science and
Technology (AIST), Tsukuba, Japan
2
School of Engineering, The University of Tokyo, Tokyo, Japan
3
Faculty of Science and Engineering, Waseda University, Tokyo, Japan
4
Resilience Engineering Research Center, School of Engineering, The University of Tokyo,
Tokyo, Japan
Keywords
discrete element method, signed distance function, validation, die filling
Abstract

Die filling is a key process which determines the quality of final products in the
pharmaceutical industry. In their manufacturing process, raw powders should be
uniformly poured into dies because a non-uniform filling state might cause serious
product defects. To achieve an appropriate filling state, it is important to understand the
mechanism of powder filling. Since filling state is influenced by die shape, numerical
simulation is an effective approach to investigate the mechanism of powder filling.
Previous studies have revealed the essential features of powder filling into box-shaped
dies. However, these simulation studies were almost limited to simple box-shaped dies
rather than complexly shaped dies. Since the simulation of powder filling into complexly
shaped dies requires an extremely complex algorithm, the difficult challenge is to
investigate the mechanism of powder filling into complex die systems. In this study, the
wall boundary model created by the signed distance function (SDF) is applied to the
discrete element method (DEM) and the DEM/SDF approach is validated for complex die
systems. In the SDF model, wall boundaries are modeled by a scalar field based on the
SDF. First, powder flow filling into various shaped die systems is calculated by the
DEM/SDF approach. Comparison between the simulation and experiments are also
conducted in the validation tests. The macroscopic powder obtained from the DEM/SDF
approach qualitatively corresponds to the experimental results. In addition, good
agreements are confirmed for the spatial distribution of velocity and the final mass of
filling particles in dies. Hence, the DEM/SDF approach is validated in complex die systems.
Consequently, the adequacy of the DEM/SDF approach is demonstrated in complex die
systems and the DEM/SDF approach is an effective method for particle systems with
complex boundary shape like dies.

69
 62: 2.4 billion particles DEM simulation of accretionary prism formation using an iterative
dynamic load balancer.
Mikito Furuichi, Daisuke Nishiura
Department of Mathematical Science and Advanced Technology, Japan Agency for Marine-Earth
Science and Technology (JAMSTEC), Yokohama, Japan
Keywords DEM, Dynamic load-balancing, accretionary prism, Stress chain, HPC
Abstract A parallel implementation of the Discrete Element Method (DEM) for a large parallel
computer system is presented to simulate a sandbox experiment with realistic particle sizes. This
numerical sandbox experiment is used to investigate the stress state in the accretionary prisms,
which generate large earthquakes such as those occurring in the Nankai Trough. To save memory in
the pairwise tangential forces and halve the arithmetic costs, interactions are calculated using the
action-reaction law. An iterative load-balancer the flexible 2D orthogonal domain decomposition is
applied to manage the load-imbalances in the execution time between MPI procs caused by the
Lagrangian nature of DEM. The sub-domains of the MPI procs are iteratively updated within the
framework of an iterative non-linear solver [1]. An overlapping communication technique combined
with cell-ordering with space-filling curves is also applied to hide the overhead cost because of the
MPI communication tasks [2]. The parallel scaling test shows good strong, and weak scalabilities up
to 2.4 billion particles on the Earth Simulator and the K computer. We verify our complex parallel
implementation of the code with the action-reaction law via a reproducibility test. These algorithms
and code development enable us to perform the numerical sandbox experiments with a real-sale
sand size which involve the horizontal shortening of a layer of sand (Fig. 1). We found that despite
the nearly uniform initial conditions, macro-scale undulations of faults, which are similar to those
observed in the trenches of an accretionary prism, appear. To understand the granular mechanism
behind these undulations, we performed the large-scale stress chain analysis. The visualization of
the stress chains from the large-scale DEM simulation reveals the existence of arcuate stress struc-
tures that may control accretionary prism formation, which is an important scientific discovery [3].
[1] M. Furuichi and D. Nishiura, Comput. Phys. Comm. (2017) DOI:10.1016/j.cpc.2017.05.015
[2] M. Furuichi, D. Nishiura, M. Asai & T. Hori, , (2017) SC17
http://sc17.supercomputing.org/SC17%20Archive/tech_poster/tech_poster_pages/post113.html.
[3] M. Furuichi, D. Nishiura, O. Kuwano, A. Bauville, T. Hori, H. Sakaguchi, Scientific Reports (2018),
DOI:10.1038/s41598-018-26534-x

Figure 1: Snapshot of the sandbox simulation using 4096 nodes on the K computer.

70
63: Optimization of particle separation methods in Lab-on-a-Chip systems with the help of
CFD and DEM coupling
Alexander Göhring1,2, Karl-Heinz Feller1,2
1
University of Applied Sciences , Jena, Germany
2
Institute for Microsystem and Precision Manufacturing Instrumental Analysis Group,
Jena, Germany
Keywords
particle separation, microfluidics, discrete-continuum coupling, Life Science
Abstract
Particle separation takes a central role in a lot of clinical examinations and analytical
processes: such as isolating microorganism from urine or other body fluids, separating
blood components from one another or extracting tumor cells out of blood. With the help
of a microfluidic separation device it is possible to reach response level of pathogens by
accumulation, before they are analyzed. Therefore, separation is the basis for many
significant applications in diagnosis, analysis or sample preparation. Simulation models
have been created to examine and improve different passive separation methods by
coupling the finite volume method (ANSYS Fluent) and the discrete element method
(Rocky DEM./ EDEM). The research is specialized on passive solutions. Thus only forces
resulting from the channel geometry, the flow and the characteristics of the particles are
used. With the help of forces affecting against each other, depending on the particle
properties (size, density etc.) the particle can be moved within the channel cross-section
and separated.

One further advantage is that such miniaturized separation chip systems are easily
capable of being integrated into the flow chain of any sample preparation and analytical
procedure which opens a broad variety of applications in health care, pharmaceutical
research and development and related branches.

71
 64: Characterization of a steady state granular flow patterns of soybeans with various
moisture content discharging from a cylindrical silo using three dimensional discrete
element method (DEM) simulation
Hwabin Jung1, Won Byong Yoon,2
1
Kangwon National University, Chuncheon, Korea, Republic of
2
Eldery-Friendly Food Research Institute, Chuncheon, Korea, Republic of
Keywords
DEM, soybean, moisture content, orifice, silo
Abstract

This study investigated the physical parameters affecting the flow patterns of the
soybeans with various moisture content (12 to 60%) at varied orifice size (20, 40, and 60
mm) in the cylindrical silo. The flow conditions to obtain a steady state discharge mass
flow rate were evaluated using experiments and DEM simulations. Physical properties of
soybeans such as the shape and the size, the mechanical properties, such as Poisson’s
ratio and Young’s modulus, the coefficient of restitution, and the coefficient of static and
rolling friction were measured and estimated. The moisture absorbed in the soybean
dramatically changed all the properties. However, the key parameters to affect the flow
patterns of soybeans were determined to be the size, shape, and friction coefficients. The
discharge mass flow rate at different moisture content and different size of the orifice
provided a critical size of the orifice. In this study, the reduced diameter of the orifice size
was evaluated and found that, if Dred > 0.56, the flow showed a steady state. Based on the
MFI, the flow pattern at 40 and 60% of the moisture content at 40 and 60 mm of the
orifice size respectively showed funnel flows although these flow conditions were satisfied
to maintain a steady flow. The maximum wall pressure during discharging for the funnel
flows showed the location of the interlocking phenomena where the stagnant zone begins
during discharging. DEM simulation were well predicted the flow patterns of the soybeans
with varied moisture contents and orifice size. This study demonstrated that the
experiments and the analytical approach with DEM simulation well predicts the flow
behavior of the soybean at various moisture contents and it is useful for designing the
hopper or the silo for a continuous food processing.

72
 65: Computational costs of DEM models implemented by using OpenCL on GPU
Ruslan Pacevič1,2, Arnas Kačeniauskas2, Rimantas Kačianauskas2, Rimantas Barauskas1
1Kaunas University of Technology, Kaunas, Lithuania
2Vilnius Gediminas Technical University, Vilnius, Lithuania
Keywords GPGPU computing, OpenCL, performance analysis, discrete element method.
Abstract The discrete element method (DEM) opened new vistas in modelling of materials. Concept
of the DEM presents numerical methodology, providing quantitative description of granular media
by considering motion and deformation behaviour of individual particles in the frame of Newtonian
mechanics. Nowadays DEM is acknowledged to be an effective procedure extended to cohesive
powders, fracture, fluidized environments and couplings with different multi-physics. The main
disadvantage of the DEM is related to computational capabilities that are limited by a huge number
of particles and a short time step required in simulations. Naturally, to solve the industrial-scale
problems the massively parallel architecture of GPUs and GPGPU computing are the obvious options
for significantly increasing computational capabilities.

The conducted research presents evaluation of computational performance of various DEM models
implemented in OpenCL code for GPU and other shared-memory architectures. Linear contact
model, Hertz contact model, time history dependent friction model, the external forces, torques and
the bonded particle model are considered for quantitative comparison of the computational costs.
Contact search is performed by memory saving infinite grid method. The fifth order Gear predictor-
corrector algorithm is used for accurate time integration, which requires more than one GPU kernel
for implementation. The performance of the developed OpenCL code is evaluated solving
applications of gravity packing, hopper discharge and fracture of concrete. The performance
measured on NVIDIA® Tesla™ P100 GPU is compared with that attained by running the same
OpenCL code on Intel®Xeon™ E5-2630 CPU and Intel®Core™ i7-6700.

Performed analysis reveals that parallel computation of forces on thread per particle basis requires
small amount of GPU memory and can be performed very efficiently. Evaluation of the tangential
component of the contact force with the time history dependent friction model is very expensive in
terms of memory and computing time, because the length of the tangential displacement of each
contact between neighbouring particles should be stored for unknown number of time steps.
Neighbours of particles change in time, which requires complex handling of contact lists of variable
size. Thus, computation of tangential components of the contact force increases computing time up
to 38.1% of the time required for DEM model evaluating only the normal contact force.
Computation of torques is less expensive and adds up to 3.8% of the execution time of the DEM
model evaluating only the normal contact force. As expected, the complex bonded particle model
requires the largest amount of computational resources if frequent contact search is required for
accuracy reasons. It increases the computing time up to 19.4% of the time required for the DEM
model of granular flows, assuming the linear dependency of the computing time on the number of
particles. It can be concluded that DEM models, performing operations and storing data on bonds or
contacts between neighbouring particles, consume the largest amount of computational resources,
because contacts might change in time and require inefficient manipulation of data arrays.

73
 66: Two scale modeling of granular materials based on micromorphic continuum and
discrete particle models
Chenxi Xiu, Xihua Chu
Department of Engineering Mechanics, Wuhan University, Wuhan, China
Keywords
granular materials, micromorphic continnum, discrete particle model, FEM,DEM
Abstract
This study proposes a two scale method for granular materials based on micromorphic
continuum in which a material point is viewed as a deformable volume composed of a
granular assembly. The boundary value problem is sovled by the Finite Element Method
(FEM) at the macro scale, and the microscopic behavior of the granular assembly is
modeled by the Discrete Element Method (DEM). Meanwhile the macroscopic mechanical
responses of granular materials are obtained from the discrete granular assembly, which
forms the two scale method medoling (FEM-DEM) for granular materials. In this method,
the macroscopic stress is obtained by the average of the particle contact forces, and the
boundary conditions for the granular assembly are derived by the macroscopic
deformation. Numerical experiments have been conducted to investigate the deformation
and failure behaviors of granular materials. The influence of the microscopic parameters
for granular assembly on the macroscopic mechanical behaviors of granular materials
have been discussed.

74
 67: Towards a discrete element method to predict the thermo-mechanical behavior and
the damage of continuous media during a drying process.
Ghassan Al Hajj Hassan, Willy Leclerc, Hamza Haddad, Christine Pélegris, Mohamed Guessasma,
Emmanuel Bellenger
Laboratoire des Technologies Innovantes, Saint Quentin, France
Keywords DEM, Cohesive elements, Thermo-mechanical behavior, Damage, Drying process
Abstract This contribution is treated in the framework of CUBISM project funded by the European program
INTERREG V which aims at developing in-situ pressure and humidity SAW sensors to follow the drying of
refractory materials under high temperature and pressure conditions. More specifically, our goal is to model the
thermo-mechanical behavior of the piezoelectric SAW substrate under such conditions. For example, in the
context of a refractory concrete, the temperature can rise up to more than 400°C and the pressure can locally
reach 40 bars. As a result, the sensor substrate material has to be carefully chosen to ensure its proper
functioning and its durability. Due to the difficulty to test experimentally a large set of candidate materials with
specific microstructures and properties, numerical predictions are envisaged to evaluate their ability to respond
to severe operating conditions. Our choice is to consider the DEM which is a promising approach to simulate the
multiphysics behavior of continuous media and their damage.
In the present work, our main objective is to develop a DEM-based approach enabling to predict the thermo-
mechanical behavior and the damage of tested materials under above-mentioned conditions. For that purpose,
we consider MULTICOR3D++ code which is developed in our laboratory to simulate the multiphysics behavior of
multi-scale continuous media. Investigations are threefold.
First, we discuss the validity of the cohesive beam element to yield a suitable elastic medium. Typically,
cohesive elements are introduced at the scale of the elementary contact between each pair of particles in
contact to model a continuous medium. Our choice is to consider the cohesive beam element based on Euler-
Bernoulli theory which proved its ability to model suitable crack patterns including in a specific process as the
indentation test [1,2]. In a first step, a calibration process is set up to relate the parameters of the beam element
to the elastic macroscopic ones. Validation tests are then led using several solicitations and configurations.
Second, a model of linear thermal expansion based on the free dilatation of each beam element is introduced
in our numerical model [3]. For comparison purposes, effective coefficients of thermal expansion as well as
strain and stress fields are determined and compared to Finite Elements results for several material
configurations. Thermal-induced damage is also introduced using two modes of failure : the crack propagation
and the interfacial debonding. The first one is modeled using the Removed Discrete Element Failure criterion
introduced by André et al. [4] and the second one by the Discrete Damage Zone Model [2].
Finally, we aim at developing a mass transfer model coupled to the heat transfer by conduction. Such an
approach will enable us to take into account all effects related to the residual humidity in the substrate. At the
current state of our investigations, a model of heat conduction has been introduced and validated in the context
of transitory and stationary regimes in homogeneous and heterogenous media. We are currently working on a
mass transfer model based on a coupling between Fick's anf Fourier's laws. This approach will be directly
coupled to the mechanical state of the material via a controled shrinkage of each beam element.

REFERENCES
[1] Schlangen,E,Garboczi,EJ: Fracture simulations of concrete using lattice models : Computational
aspects. Eng. Fract. Mech. 57(2), 319-332 (1997)
[2] Leclerc,W,Haddad,H,Guessasma, M: On the suitability of a Discrete Element Method to simulate
cracks initiation and propagation in heterogeneous media. Int. J.Solids Struct. 108: 98-104 (2017)
[3] Leclerc,W,Haddad,H,Guessasma,M: On a discrete element method to simulate thermal-induced
damage in 2D composite materials. Comput. Struc. 196, 277-291 (2018)
[4] André,D,Jebahi,M,Iordanoff,I,Charles,JC,Neauport,J: Using the discrete element method to
simulate brittle fracture in the indentation of a silica glass with a blunt indenter. Comput. Methods,
Appl. Mech. Eng. 265, 136-147 (2013)

75
68: On an efficient contact detection algorithm for elliptical and ellipsoidal particles
Elham Kheradmand, Serge Prudhomme, Marc Laforest
Polytechnique Montreal, Montreal, Canada
Keywords
Ellipsoidal Particles, Contact Detection Algorithm, Efficiency, Stability, Discrete Element
Method
Abstract
The talk will focus on the description of a new algorithm to search for contact points
between elliptical and ellipsoidal particles. Contact detection between two solid particles
is in general a challenging task in the case of non-spherical particles. Efficiently computing
the information about the contact point and the normal direction between two particles is
crucial when dealing with a very large number of particles in discrete element
simulations.

Existing contact detection algorithms for ellipsoidal particles can be categorized into three
classes, namely the Intersection methods, the Geometric Potential methods, and the
Common Normal methods. The algorithms of the Intersection and Geometric Potential
methods reduce to finding the roots of a fourth-order and sixth-order polynomials for 2D
and 3D problems, respectively. The Common Normal algorithms involve the solution of a
nonlinear system of equations. The computational cost associated with these methods
can therefore become non-negligible, especially when simulations involve thousands of
particles. In some cases, stability and uniqueness of the solution can also be an issue.
Therefore, faster and more robust methods to estimate contact points between
ellipsoidal particles could significantly improve the Discrete Element Method.

The present talk will describe a novel approach that relies on the transformation mapping
one of the two ellipsoids into a sphere. The derivation follows the common normal
concept and leads, for a pair of elliptical or ellipsoidal particles, to solving a system of one
or two nonlinear equations, respectively. The problem is also supplemented by an
inequality constraint that ensures the uniqueness of the solution. Furthermore, the
mapping allows one to construct an effective initial guess to the root of the contact point
equation. The performance of the algorithm will be analyzed and illustrated on sequences
of randomly generated pairs of elliptical and ellipsoidal particles. In particular, it will be
shown that its computational cost is significantly lower than that of existing algorithms,
and without a trade-off to its stability.

76
 69: Modelling of Ballasted Tracks: Discrete–Continuum Approach
Trung Ngoc Ngo, Buddhima Indraratna
University of Wollongong, Wollongong, Australia
Keywords
Railways, Track, Subgrade, Ballast, Modeling
Abstract
The increasing demand for fast heavy haul services with greater axle loads, as well as high
speed commuter trains poses a critical challenge for the stability of tracks built on the
problematic ground. The mechanisms of ballast degradation and deformation, the
understanding of interaction between discrete ballast aggregates and subgrade media
require further insight to improve the existing design guidelines for future high speed
commuter and heavier freight trains. This paper presents study on the load-deformation
responses the ballasted rail track subjected to cyclic loading using a novel large-scale track
process simulation apparatus (TPSA) and a coupled discrete-finite different modelling
approaches (coupled DEM-FDM). Experimental studies are carried out to investigate the
deformation and degradation responses of ballast subject to cyclic train loading under a
given frequency of f=15 Hz. A rigorous coupled model between the discrete element
method (DEM) and the finite difference method (FDM) is introduced considering the
ballast breakage and influences of the subgrade stiffness. In the coupled discrete-
continuum method, the ballast layer is modelled by discrete element method and the
subgrade domain is modelled by continuum method. Interface elements are introduced to
transmit the interacting forces and displacements between the adjoining material media,
in which the DEM transfers contact forces to the FDM, and then the FDM transfers
displacements (i.e. velocities) back to the DEM. The coupled model is validated by
comparing the predicted deformations of ballast with those measured in the laboratory.
Contact force distributions, stress contours and corresponding broken bonds (i.e. particle
breakage) are captured. This coupled DEM-FDM model is also used to analyse the load-
deformation of a fully instrumented track in Singleton, Australia, and the numerical
predictions are compared with the field data. These findings are imperative for a more
insightful understanding of the micro-mechanical behavior of ballast from the perspective
of microstructure characteristics of discrete particle assemblies.

77
 70: Investigation of particle segregation in tableting process using DEM
Yu Nagata1, Zhibin Xu1, Yuki Tsunazawa1, Shinji Yoshinaga2, Chiharu Tokoro1
1
Waseda University, Tokyo, Japan
2
DAIICHI SANKYO CO., LTD., Kanagawa, Japan
Keywords
Discrete Element Method; Die filling; Segregation;
Abstract
In various pharmaceutical manufacturing processes, a tablet production consists of die
filling, compaction and ejection steps. In a rotary tableting machine, the raw materials in
the feeder are filled into rotating dies and then are compression molded. During the filling
step, raw materials should be uniformly poured in the die to achieve an appropriate filling
state for compression molded. Non-uniform filling state in dies is frequently occurred in
tablet production, which might decrease production efficiency. To control filling state in
dies, therefore, filling mechanism should be well-understood. However, filling mechanism
is generally affected by various factors such as the apparatus of filling systems, operation
conditions and physical properties of raw materials. There has been still little knowledge
about filling mechanism in dies.
Among these parameters, this study focused on the physical properties of raw materials,
specially, size distribution of raw powders. The objective of this study was to investigate
the effect of size distribution of raw powders on the segregation in the rotary tableting
machine. To observe and investigate the segregation during powder filling, powder filling
in dies of the rotary tableting machine was calculated by the discrete element method
(DEM) simulations. To calculate the behavior of fine particles with wide size distribution,
the feeder area in our simulation model was limited to only small area near to dies
although the apparatus of the actual feeder in the rotary tableting machine was large and
complex because of continuous supply of raw materials. In addition, to simplify the
simulation conditions, this study assumed particles had two different sizes although the
actual raw materials had a wide distribution. Simulation results showed that the amount
of filling particles in dies had a certain variation and the volume fractions in two different
size of particles might affect the variation. Experimental filling tests also showed the same
trend obtained from simulation results. These results suggested that the variation strongly
depended on the particle size distribution of granules.

78
 71: Yielding transition depends on the driving conditions: A local rheology relation across
boundary-driven, gravity-driven, and fluid-driven dense and dilute granular flows
Thomas Pähtz1, Orencio Durán2, David de Klerk3, Indresan Govender4
1
Zhejiang University, Zhoushan, China
2
Texas A&M University, College Station, USA
3
University of Cape Town, Private Bag Rondebosch, South Africa
4
University of KwaZulu-Natal, Glenwood, South Africa
Keywords
dry granular flows, wet granular flows, yielding transition, kinetic theory
Abstract
Dry, wet, dense, and dilute granular flows have been previously considered fundamentally
different and thus described by distinct, and in many cases incompatible, rheologies. We
have carried out discrete element method-based simulations of granular flows for a
variety of geometries and driving mechanisms, which cover the entire range of the
particle-fluid-density ratio, Stokes number, and particle volume fraction [1]: (i) two-
dimensional sediment transport driven by a large variety of Newtonian fluids (including
oil, water, and air), (ii) rapid gravity-driven flows in ambient static air of varying viscosity,
(iii) two-dimensional uniformly sheared viscous suspensions in density-matched fluid of
varying viscosity, (iv) two-dimensional dry uniform shear flows, (v) three-dimensional
rotating drum flows lubricated by a density-matched fluid, and (vi) a three-dimensional
dry rotating drum flow. For all simulated conditions, except for sediment transport and
gravity-driven flows close to the flow threshold, we find that the Mohr-Coulomb friction
coefficient $\mu$ scales with the square root of the local P\'eclet number
$\mathrm{Pe}=\dot\gamma d/\sqrt{T}$ provided that the particle diameter $d$ exceeds
the particle mean free path. Despite the appearance of the granular temperature $T$, this
scaling is probably not related to granular kinetic theory as the scaling coefficient depends
only on the tangential friction coefficient but not on the normal restitution coefficient (the
exact opposite of what kinetic theory predicts [2, 3]). Instead, we believe it originates
from a competition between macroscopic shearing (rate $\dot\gamma$) and thermal
diffusion (rate $\propto\sqrt{T}/d). With decreasing $\mathrm{Pe}$ and granular
temperature gradient $M=d\nabla T/T$, the scaling breaks down as the system becomes
increasingly isotropic, allowing the mechanical stabilization of the flow. This leads to a
yield condition with a variable yield stress ratio characterized by $M$, which can be much
smaller than its value for homogeneous flows.
[1] Pähtz, Durán, de Klerk, Govender, & Trulsson, https://arxiv.org/abs/1901.04692
[2] Chialvo & Sundaresan (2013), doi: 10.1063/1.4812804
[3] Berzi & Vescovi (2015), doi: 10.1063/1.4905461

79
72: DEM simulation of particles in a bucket elevator considering the effect of air flow
Yu Li, Cong Deng, Jiquan Hu
School of Logistic Engineering, Wuhan University of Technology, Wuhan, China
Keywords
bucket elevators,discharge trajectory,particle size,DEM, coupled gas
Abstract
Bucket elevator is a frequently-used lifting equipment in bulk cargo handling. It completes
the solids’ loading, lifting and discharging processes by dragging buckets with flexible
members in a circuit within an enclosed casing. At present, air flow in the elevator caused
by the high-speed movement of buckets are often neglected in the most researches of the
bucket elevator discharging, as well as its influence on the discharging trajectory of
particles. In this paper, a designed TD belt bucket elevator is taken as the research object.
Firstly, the air flow distribution in the bucket elevator caused by buckets of 2m/s lifting
speed is solved by CFD dynamic mesh simulation. Secondly, the air flow distribution result
is transformed into the force information of particles by CFD-DEM one-way coupling.
Lastly the discharging trajectory of particles at various scales considering the influence of
air flow is depicted in the DEM simulation. The simulation results show that the air flow
generated by the buckets’ relatively high-speed movement in the bucket elevator reduces
the overall material discharging efficiency, in this research the efficiency declined by
11.31% compared with that neglecting the air flow. The biggest impact is on small size
particles ranging from 0.5 mm to 1 mm, with a 10.38% - 40.60% decrease in discharging
efficiency. For particles with middle size ranging from 2 mm to 4 mm, the discharging
efficiency of particles is declined by 2.48% - 3.55%, while the discharging process of
particles with size larger than 8 mm is not significantly affected. By using DEM-CFD one-
way coupling, a more accurate discharging state of bucket elevator can be described,
which provides a reference for optimizing the design parameters such as the distance
between the bucket tips and the casing, and the spatial arrangement of the discharging
outlet.

80
 73: Numerical simulation of particle breakage in a telescopic roller and its structure
optimization
Junlin Qiu, Jiquan Hu, Yu Li
School of Logistic Engineering, Wuhan University of Technology, Wuhan, China
Keywords
telescopic roller, particle breakage,discrete element, bonding model, structural
optimization
Abstract
Coal often breaks down during transportation due to impact, collision, friction, etc.,
resulting in the lump coal turn into small pieces, reducing its economic value. Telescopic
rollers are a common mechanism to reduce breakage, but there is a lack of a reliable
means to evaluate its effectiveness. Discrete element method which can study both
macroscopic flow parameters and individual particle properties is an effective method to
simulate bulk material transportation. In this paper, Hertz-Mindlin with bonding contact
theory is used for establishing the coal particle breakage model. Based on the energy
theory of rock fragmentation, bonding parameters is determined by virtual calibration.
According to the influence of the structural parameters which have been studied on the
particle flow and the fracture problem, structural optimization suggestions for the
telescopic roller system can be proposed. As a result, the optimized telescopic roller
system can effectively reduce the fragmentation of the lump coal during the blanking
process and reduce the transportation loss.

81
74: Coupled CFD-DEM modelling of mechanical consequences of suffusion on granular soils
Zheng Hu1, Zhongxuan Yang1, Yida Zhang2
1
College of Civil Engineering and Architecture, Zhejiang University, Hangzhou, China.
2
Department of Civil, Environmental and Architectural Engineering, Boulder, USA
Keywords
granular soils, suffusion, DEM, CFD, shear strength, degradation
Abstract
During the effect of severe seepage flow under heavy rainfall, fine particles in granular
soils are prone to erode, such as piping and suffusion, posing potential risks of
degradation of soils and dysfunction of infrastructures (e.g. foundations, embankments
and dikes). This paper presents a macro-micro investigation on suffusion and its
mechanical consequences in internally unstable soils using the coupled computational
fluid dynamics (CFD) and discrete element method (DEM) method. The progressive loss of
fine particles caused by the upward seepage flow is studied. The fines
content, volumetric strain and void ratio are monitored to identify the changes of
macroscopic states of the soil skeleton. In addition, the microstructural evolution of the
heterogeneous distribution of particles, the clogging-unclogging events, the evolution of
force chain network are detected during the migration of fine particles. A series of triaxial
compression tests are performed to assess the mechanical consequences of suffusion, i.e.
the variations of shear strength and the inter-particle contact properties. Parametric
studies indicate suffusion could either increase or decrease the shear strength, depending
on the fines content, relative density, and hydraulic conditions imposed. The
corresponding variations in particle contacts, fabric anisotropy and critical states are
elaborated to interpret the changes of different shear strength due to suffusion. The
distribution of local porosity is also investigated using a Voronoi tessellation method in
the pore scale, to quantify the evolution of void structures. These findings may provide
the insight for in-depth understanding of mechanical response of granular soils under
suffusion effect, which is of paramount importance in the safety assessment of urban
infrastructures under water infiltration.

82
 75: Investigation of different tablet press feed frames using DEM
Eva Siegmann1, Thomas Forgber1, Peter Toson1, Hermann Kureck1, Thomas Brinz2, Stefan
Manz2, Torsten Grass3, Johannes Khinast1,4
1
RCPE GmbH, Graz, Austria
2
Robert Bosch Packaging Technology GmbH, Waiblingen, Germany
3
Robert Bosch Packaging Technology GmbH, Waiblingen, Austria
4
Institute for Process and Particle Engineering, Graz, Austria
Keywords tablet press, feed frame, granular flow, residence time analysis
Abstract Feed frames of pharmaceutical tablet presses are a crucial step in the
manufacturing process. They transport the powder from a mixer to a rotating die plate, in
which it is compressed to tablets. Feed frames are influencing the tablets mass and
homogeneity. A homogeneous distribution of the active pharmaceutical ingredient in the
tablets is the most fundamental parameter in the tablet quality. Feed frames are used in
batch as well as in continuous processes.
The present work uses the discrete element method (DEM) to simulate three different
feed frames operated with different rotational speeds. Free flowing as well as cohesive
powders are investigated. Therefore different force models, namely the linear spring
dashpot as well as a macro elastic-plastic adhesive model, are applied. These simulations
are used for gaining process understanding as well as comparing the behaviour of
different materials. The commercial DEM software XPS is used for the simulations. Since
the software is GPU-based it allows for simulating particle numbers in the range of many
millions.
Analysis focuses on distributions of the residence time and the distance travelled by the
particles, as well as on segregation and on the quality of the tablet. The results show the
influence of the different parameters on the product quality.

83
 76: Full-scale numerical calculation of ballasted tracks with the Discrete Element Method
Joaquín Irazábal1, Fernando Salazar1, Eugenio Oñate1,2
1International Centre for Numerical Methods in Engineering (CIMNE), Barcelona, Spain
2Polytechnic University of Catalonia (UPC), Barcelona, Spain

Keywords Geomechanics, Railway ballast, Railway track stability

Abstract Rail transport, both for people and goods, is becoming increasingly significant all over the world,
which is reflected in the great growth of conventional and high-speed train lines. Most of these
infrastructures are built with railway ballast, a granular material whose main function is to resist vertical
and horizontal loads and to face climatic actions.
The growing popularity of these infrastructures has led to the development of numerical models to
evaluate their performance. Among a wide range of numerical methods, the Discrete Element Method
(DEM) was found to be effective for evaluating the performance of granular materials. This approach
considers their discontinuous nature and has proven to be a useful tool to determine the dynamic
behaviour of groups of particles. Moreover, the DEM is also used to compute the behaviour of continuum
materials. In this work, rails and bearing plates are characterised in the calculations using this
methodology, called the bonded DEM [1, 2]. It is a modification of the classical DEM which assumes that
bonds exist between particles, resisting their separation.
The code used is developed within DEMPack, a specific software tool for modelling physical problems
using the DEM. Currently, DEMPack allows the use of two different types of geometry: spheres with
rolling friction and clusters of spheres. A previous analysis showed that spheres are more effective for
studying the macroscopic behaviour of the ballast layer, while clusters are necessary for small-scale tests
involving highly compacted particles since their results are greatly influenced by particles and contacts
distribution.

Figure 1. Velocity of ballast stones when the train is travelling through the section.
After calibrating the code, full-scale tests were performed applying the load of a high-speed train on a
railway track section in different situations. Considering the amount of material (about 130,000 particles)
and that the aim is to evaluate the deflection of the rails, the calculations are carried out using spheres.
The numerical results correctly capture the effect on the deflection of the rails. It can be concluded that
the DEM increases the possibilities for analysing innovative solutions since real case-scenarios can be
studied with enough accuracy and feasible time.
References
[1] N.J. Brown, J.F. Chen and J.Y. Ooi, “A bond model for DEM simulation of cementitious materials and deformable
structures”, Granular Matter, 16(3), 299-311 (2014).
[2] M. Celigueta, S. Latorre, F. Arrufat and E. Oñate, “Accurate modelling of the elastic behavior a continuum with the
Discrete Element Method”, Computational Mechanics, 60(6), 997-1010 (2017).

84
 77: ADEM Simulation for Compaction Process
Ryo Watanabe1, Kizuku Kushimoto2, Shingo Ishihara2, Junya Kano2
1Graduate School of Environmental Studies, Tohoku University, Sendai, Japan
2Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan
Keywords Advanced Distinct Element Method, Simulation, Powder compaction, deformation
Abstract A new simulation approach using Advanced Distinct Element Method (ADEM) was
proposed in order to predict the compaction behavior and the characteristics of the green body.
Powder compaction process is widely used in ceramics, food and pharmaceutical industries to
produce compacted products. The internal micro structure of green body should be uniform
because non-uniform structure causes cracking after compaction or occurrence of coarse defects
during sintering. Powders are generally aggregated by granulation or spray drying in order to fill
powders uniformly and densely. The structure of green body depends on the rearrangement of
powders during compaction, which is caused by the deformation and breakage of aggregates. It is
desirable to predict aggregate behavior during compaction and characteristics of green body from
aggregate characteristics.
However, the relationship between the characteristics of each aggregate and the compaction
behavior has not clarified sufficiently. Although numerical simulation using Distinct Element Method
(DEM) is widely used to analyze the compaction behavior of particles, DEM cannot simulate
deformation and breakage of aggregates. In this context, the aim of this work is to develop a
simulation model for analysis of the aggregate behaviors during compaction process. ADEM, which
can analyze deformation and breakage behaviors of aggregates by connecting primary particles with
joint springs was used.
Both the experiment using polyvinyl alcohol (PVA) beads aggregates and the simulation using ADEM
were performed. Fig.1 shows the aggregates used in the experiment and the simulation. ADEM
parameters which represent characteristics of aggregates were determined by fitting to the
experimental load-displacement curve of single particle compression test. The validity of the
simulation model was checked by the results of the uniaxial test of a particle bed. Fig.2 shows the
cross section of the particle bed during compaction in the simulation. It is suggested that when an
aggregate breaks down, the fragments fill voids between aggregates, and green body becomes
dense.

85
 78: Super-quadric Element Based on GPU Parallel and Its Application in a Horizontal
Rotating Drum
Siqiang Wang, Shunying Ji
State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of
Technology, Dalian, China
Keywords
discrete element method, super-quadric particle, GPU parallel, rotating drum
Abstract
Parallel computing of large-scale discrete element method was developed for spherical
particles. However, in natural or industrial applications, the granular systems commonly
comprise non-spherical grains. Super-quadric elements based on continuous function
representation can be used to describe the geometric shape of irregular particles
accurately, and accurately calculate the contact force between elements using the non-
linear Newton's method. Considering the complexity of the contact detection between
non-spherical particles and the large-scale computational requirements, a CUDA-GPU
parallel algorithm is developed for super-quadric elements. Based on the parallel
calculation of spherical particles, the rough contact list of the bounding box and the
accurate contact list of the Newton’s method are established using the kernel function.
Meanwhile, the parallel computing model and the memory access mode are optimized to
improve the computational efficiency. To examine the reliability of the parallel algorithm,
the flow process of non-spherical particles is simulated by discrete element method and
compared with the experimental results. Furthermore, Lacey mixing index is used to
explore the effects of particle shapes on the mixing and motion of the granular system in
a horizontal rotating drum. The results indicate that the flow regime seems to be primarily
determined by the rotating speed, and the influence of the particle shape on the flow
regime is of secondary importance. Meanwhile, flow is continuous for spherical particles,
while the characteristics of non-particles are mostly intermittent flow.

86
 79: From Material Parameter Calibration to Post-Processing: A Complete DEM Simulation
Workflow
Philippe Seil, Alice Hager, Andreas Aigner, Christoph Goniva, Christoph Kloss
DCS Computing GmbH, Linz, Austria
Keywords
discrete element method, material calibration, complete workflow
Abstract
In the design and optimization of industrial processes handling granular material,
numerical simulations with the Discrete Element Method are an established tool.
However, on the path from the process to the simulation and back to the result, such as
optimized design or improved product quality, simulation engineers encounter various
challenges: choice of parameters, definition of boundary conditions or configuration of
complex physical models. It is our goal to build general, yet flexible workflows useful to
engineers in many application areas.

The bulk behavior of granular materials is governed by particle-scale parameters which

can hardly be measured directly. We present a workflow that solves this problem using an
optimization approach: Through repeated simulations of small-scale experiments, our
novel tool CFDEM(R)dalilama obtains the set of parameters that best reproduces the bulk
behavior measured in the experiments. This is demonstrated using experimental data of
GranuTools' GranuDrum (rotating drum) and GranuFlow (silo flow) experiments and
matching simulations for a metal powder. We further present a showcase of a DEM
simulation application using calibrated parameters obtained by our approach.

87
 80: Geotechnical and environmental engineering with coupled CFD-DEM
Alice Hager1, Hendrik Wrenger2, Christoph Kloss1, Christoph Goniva1
1DCS Computing, Linz, Austria
2The Ocean Cleanup, Rotterdam, Netherlands
Keywords Coupled CFD-DEM, multiphase flows, geotechnics, environmental engineering
Abstract Many geotechnical processes in the field of hydraulic engineering are strongly influenced by
phenomena that take place at interfaces, as for example the interface between soil and water or the
interface between air and water in the presence of soil. The visible effects are triggered by actions at a
micro-scale, which makes unresolved coupled CFD-DEM the perfect simulation tool for such applications:
while DEM can be used to resolve the soil as particles, CFD is applied for the depiction of a single or
multiple fluid phases.
The authors present tree different application examples:
• The first one deals with the investigation of the two excavation methods grab and suction dredging
a single-fluid-phase coupled solver (cfdemSolverPiso) was used, and the results could directly be
compared against experiments. The experiments were conducted at the Institute of Geotechnical
Engineering and Construction Management at TUHH.
• In the second one the water-air interface within the soil is considered. In this case a two-fluid phase
coupled solver came to application. In this field we selected two topics:
- First, we investigated on the shape of the interface between water and air that forms within a dam
which separates areas with different water levels. This interface is termed phreatic line, and
according to the literature it solely depends on the difference of the water levels for homogeneous
dams. The simulation results were compared to a relation derived by Casagrande [1] (cf., Fig. 1).
- The second topic was the investigation of the impact of the water level on the stability of dams.
Here we conducted a feasibility study, the outcome is displayed in Fig. 2.
• The same solver is used for the third application case, in which a flume experiment is reproduced
numerically: A fix plate was placed in a steady cross flow and plastic released upstream of the plate.
The evolution of the plastic accumulation profiles was recorded under slowly increasing plastic load.
Experiment parameters were the flow velocity, draft of the plate (varying the plate Froude number)
as well as three different types of plastic particles. The accumulation of oil in front of barriers and
parallels to the phenomena of plastic accumulation were reviewed (cf., Fig. 3).

Figure 1. Phreatic line within a dike, comparison

between simulation result and analytical solution.

Figure 3. Example of the accumulation of plastic

particles at the barrier. Figure 2. For water level 1 (upper image) the
dam remains stable while it fails for the higher
water level 2 (lower image).
[1] Casagrande, Arthur, 1937, Seepage through dams: New England Water Works Association, Vol. LI., No.
2, pp. 131-172.

88
 81: DEM simulation of flow pattern and pressure distribution in a model grain silo with
annular segment attached to the wall
Rafal Kobylka, Marek Molenda, Jozef Horabik
Institute of Agrophysics, Polish Academy of Sciences, Lublin, Poland
Keywords
grain silo, flow obstruction, granular flow, load estimation, load asymmetry
Abstract
A study was conducted to numerically simulate the effect of internal inserts in a form of
an annular segment attached to the wall of cylindrical container. Series of the DEM
simulations were performed with an assembly of 200 000 spherical particles with random
uniform distribution of diameters in range 3.74 – 3.84 mm, filling 0.16 m in diameter and
0.48 m high cylindrical container. Obstruction was full or half ring attached to the wall at
height to diameter ratio of 0.62 and width of 6 mean particle diameters. Simulations were
performed using axial and non-axial (eccentricity ratio of 0.66) placement of discharge
gate in a flat bottom.
Development of dead zones at the discharge initiation and their further evolution were
analyzed as influenced by the attachment of insert and centricity of discharge gate.
Pressure maps in height versus circumferential angle coordinates were generated showing
details of pressure distribution in both static and dynamic conditions. With half annular
insert attached to the wall commencement of discharge resulted in a ramp up of bending
moments to the highest values of 0.65 Nm. This value is slightly higher than 0.6 Nm found
in the case of non-axial discharge, thus should be considered dangerous for construction.
In static state, distribution of normal pressure is fairly homogeneous, except the narrow
zone below the insert, where the wall pressure is lower. At the commencement of
discharge, zone of lowered pressure below an insert widens, while in the same time an
area of elevated pressure above the insert is formed. This area of increased pressure is
reflected on the other side of the silo wall (side without an insert), but is shifted upwards
and blurred. This phenomenon results in increased bending moments in simulations with
non-symmetric inserts.
Based on performed simulations it has been proposed that dangerous asymmetry of silo
wall loads generated by eccentric discharge may be minimized or eliminated by
placement of proper insert above the floor.

89
82: A DEM study of segregation of binary mixtures of metallic powder particles in filling of a
vibrating die
Dhanooj Bobba1, Harish Cherukuri1, Ali Tabei2, Miguel Pando1
1
UNC Charlotte, Charlotte, USA
2
Oregon State University, Corvallis, USA
Keywords
Powder Processing, Metal Powders, Segregation, Discrete Element Method
Abstract
A primary factor affecting the quality of the product obtained by hot isostatic pressing is
the homogeneity of the metal powder in the dies. Since metal powders consist of particles
of different shapes and sizes, a desirable goal during filling of dies, therefore, is to achieve
homogeneous distribution of the particles as much as possible. Inhomogeneous
distribution of the particles can lead to segregation of the particles which in turn results in
inhomogeneities of the microstructure, thermomechanical properties, and possibly a final
engineering material product of reduced quality. In addition to segregation, another
important factor is the presence of “cavities” in the dies that can also influence the quality
of the HIP'd product. Therefore, minimization of segregation and reduction of cavities by
optimizing the die design are very important. Many factors have been reported in the
literature as having an important influence in the quality of the die-filling mixture. These
include the powder characteristics (particle size, particle size variation, density, shape,
particle surface properties, and initial packing), die features (die shape, location of the
funnels for powder feeding, number of funnels/nozzles), and operating conditions (speed,
temperature, presence of air, suction). In addition, in industrial settings, the dies used to
contain the metallic powder mixtures are often intentionally subjected to a prescribed
vibration to try to increase the final density of the mixture, reduce cavities and to improve
the overall quality of the finished product. However, vibrations of die containers can
result in undesirable segregation of the final powder mixture and may not completely
eliminate cavities. In this work, computational simulations using the discrete element
method (DEM) are carried out to study the mixing and degrees of segregation of binary
mixtures along with the formation of cavities in a stepped cylindrical die subjected to
harmonic vertical vibrations. The analyses involved spherical particles of two sizes mixed
at different mass proportions. The study provided key insights into the role that vibration
parameters such as frequency and amplitude play on the degree of segregation of the
final mixture and the size of the cavities. In this presentation, a summary of our findings is
presented.

90
 83: A mixed experimental/numerical Euler-Lagrangian study of pneumatic conveying of
biomass particles
Stephan Gerber, Stefan Platzk, Harald Kruggel-Emden
Technical University of Berlin, Berlin, Germany
Keywords biomass, pneumatic conveying, DEM, Euler-Lagrange-coupling, pipe bend
Abstract Pneumatic conveying is a familiar method of transporting particulate materials. This
process is well understood for usual materials which are free flowing. Biomass often differ from
those materials because of their properties such as shape and density and their distributions, their
heterogeneous structure (e.g. an inner soft material and an outer hard material) and their adhesive
character to name just a few. In general, one may state that biomass often show all possible kinds of
material properties because of their natural source. Nevertheless, the usage of biomass is a growing
field in the energy sector as well as in the chemical industry, which motivates us to investigate
pneumatic conveying of biomass in more detail.
We investigate experimentally the pneumatic conveying of biomass particles (e.g. Miscanthus,
straw) in an approx. 25 m long pipe. The pipe has two 90 degrees’ bends, an inner diameter of 100
mm and is completely optical accessible. Our special interest lies on the two phase fluid mechanics
close to the bends and on the influence of the very different material properties of the biomass such
as density, particles, (deformable) particle shape (characterized by e.g. aspect ratio). In order to
quantify the fluid mechanical behavior of such flows we measure and present data for the axial
pressure drop, velocity profiles measured through Laser Doppler velocimetry and videos from a
High-Speed-Camera (for various flow scenarios).

In order to gain further physical understanding of the fluid mechanics we compare the obtained
experimental data with numerical data from our models. Therefor we employ a Euler-Lagrangian
setup with a four-way-coupling, which is a well-known method even for pneumatic conveying (see
e.g. [1],[2]). The main advantage of this method compared to e.g. multi fluid methods is, that one
can directly account for the particle orientation (see e.g. [3]), which will be necessary because of the
partially high aspect ratios of the biomass in use. The discrete element method (DEM)-based model
for the collision dynamics allows us to present numerical data for different particle models like
polyhedron, cluster and simple spheres (the radius given through an equivalent diameter). We
compare the influence of the different particle models on pressure drop, local particle and particle
velocity distribution and extend our earlier investigation [4].

[1] Y. Tsuji, T. Tanaka, T. Ishida, Lagrangian numerical simulation of plug flow of cohesionless
particles in a horizontal pipe, Powder Technology (1992), Vol. 71, pp. 239-250
[2] J. E. Hilton, P. W. Cleary, The influence of particle shape on flow modes in pneumatic conveying,
Chem. Eng. Sci. (2011), Vol. 66, pp. 231-240
[3] A. Hölzer, M. Sommerfeld, New simple correlation formula for the drag coefficient of non-
spherical particles, Powder Technology (2013), Vol. 184, pp. 361-365
[4] H. Kruggel-Emden, T. Oschmann, Numerical study of rope formation and dispersion of non-
spherical particles during pneumatic conveying in a pipe bend, Powder Technology (2014), Vol. 268,
pp. 219-236

91
 84: Measuring granular flow properties to calibrate DEM simulations
Filip Francqui1, Philippe Seil2, Arno Mayrhofer2, Josef Kerbl2, Geoffroy Lumay3
1
GranuTools, Awans, Belgium
2
DCS computing, Linz, Austria
3
University of Liege, Liege, Belgium
Keywords
Simulation calibrations, rotating drum, compaction, GranuDrum, GranuPack
Abstract
Tuning the microscopic parameters (coefficients of friction, coefficients of restitution,
cohesive forces, …) for granular material simulation is a difficult task, in particular when
dealing with real powders made of grains having complex characteristics. Moreover, in
many simulation techniques, the input parameters are not rigorously linked with physical
parameters. Measurements can be performed at the scale of the grains with AFM
techniques for example to obtain a microscopic characterization. Even if this bottom-up
method makes sense conceptually, it is often practically impossible to use this approach in
applications. We propose a top-bottom method based on a macroscopic characterization
workflow composed of three measurements: the packing fraction dynamics (GranuPack),
the cohesiveness (GranuDrum) and the ability of the powder to create electrostatic
charges during a flow (GranuCharge). These measurements are performed in well-known
geometries (tubes or rotating drum) and can be easily simulated. Therefore, the
experimental results can be compared with the simulations to make a validation of the
selected parameters. After a description of the measurement workflow, case studies are
presented.

92
 85: Methods for Saving of DEM Simulation Results
Serhii Dranishnykov, Maksym Dosta
Institute of Solids Process Engineering and Particle Technology, Hamburg University of
Technology, Hamburg, Germany
Keywords
Discrete Element Method, Data Saving, Spatio-Temporal Data, Data Compression
Abstract
There are two main challenges related to the saving of DEM simulation results. The first
problem is an extremely high volume of generated spatio-temporal data which is caused
due to the simulation of large particle collectives. The second problem is the possible
information loss. By the conventional saving methods, a constant saving time step is
directly specified a priori by the user without exact knowledge of process dynamics. This
often leads to the loss of important information especially in the scenes with
heterogeneous spatial or temporal dynamics.
In this contribution, an advanced approach for the saving of DEM simulation results is
proposed. In order to reduce the volume of saved data, the combination of lossy and
lossless compression methods is used. Lossless compression methods are applied for
exact data reconstruction for specified time points. These methods are used to compress
parts of time-dependent data which are required to restart the simulation process.
Contrary to this, application of lossy compression methods leads to loss of data according
to the tolerance specified by the user. The top-down time-ratio compression algorithm
and DEFLATE compression method are used in the proposed approach as lossy and
lossless methods accordingly. For data serialization, Google Protocol Buffers mechanism is
used. RAM and HDD caching are performed to provide fast data access and to organize
intermediate storage of obtained results.
To estimate the efficiency of the developed approach, the different types of problems like
mixing, agglomerate breakage, bunker flow, etc. have been analysed. The results show
that the application of the proposed method allows one to significantly reduce the
volume of saved data and to avoid the loss of important information.

93
 86: A parallel GPU-based micromechanical simulation model for submerged geotechnical
problems
Pablo Cuéllar1, Zeyd Benseghier2, Li-Hua Luu2, Stéphane Bonelli2, Pierre Philippe2, Mathias
Baeßler1
1
BAM, Berlin, Germany
2
IRSTEA, Aix-en-Provence, France
Keywords
DEM-LBM, GPU parallel computation, offshore foundations, soil resistance to driving
Abstract

Driven steel piles are commonly used as deep foundations for a wide range of engineering
structures, particularly in the offshore branch. They are also an interesting example
among the broad spectrum of geotechnical applications where the fluid-solid interaction
at the pore-scale can play a major role for the macromechanical behaviour of the whole
system.

In the context of the geotechnical practice for offshore wind-farm structures, both the
industrial design and the actual dimensions of the large piles used as foundations in the
seabed are often driven by factors such as the soil resistance to driving (SRD), which are
still not well understood and often estimated based on mere empirical correlations or
overly simplified one-dimensional models. In particular, the role of the micromechanical
effects during the installation process (e.g. local dilatancy or contractancy) and their
consequences on the pore pressure levels at the pile-tip and on the effective resistance to
driving, are generally either disregarded or at most assumed to be covered by the
simplified engineering “black-box” solutions.

Here, we propose a general framework to address such local aspects of a geotechnical

application involving fluid-saturated soils while retaining the focus on the micro-scale
phenomena. We advocate for an approach that combines the relative simplicity of the
Discrete Element Method (DEM) for the solid mechanics with the capabilities of the
Lattice Boltzmann Method (LBM) for the fluid dynamics. In this sense, we aim to compile
some useful techniques and practical recommendations for an efficient GPU-based
implementation of a micromechanical LBM-DEM simulation tool.

94
 87: Numerical Simulation of Brittle Material Breakage with Dilated Polyhedral Discrete
Element Method
Shunying Ji, Lu Liu
Dalian University of Technology, Dalian, China
Keywords
dilated polyhedron; discrete element method; breakage of brittle materials
Abstract
A bond and fracture model is developed to simulate the fracture and fragmentation with
an explicit algorithm in the dilated polyhedral discrete element method (DP-DEM) in this
study. The Hertzian model is adopted in the contact model between the dilated
polyhedral elements which is generated with the Minkowski sum theory. In the bond
model, the bond points are initialized on the corresponding bond face of the interface
between elements. The strain between two bonded points is calculated by the division of
the distance of these two bonded points and the characteristic length, and thus the stress
can be determined according to the elastic matrix. The bond force on each bond point is
evaluated by stress and average area that every bond point represents on the bond face.
The dynamic relaxation (DR) approach is employed to establish an explicit integration
algorithm. A hybrid fracture model, considering the fracture energy and the unified
damage, is developed to detect the fracture of the bond point. In the simulation of
Brazilian test, parameters in the fracture model are analyzed to study the sensibility of
this model.

95
 88: DEM-CFD model for solid-liquid-gas flows with complex wall boundaries
Kimiaki Washino, Ei Chan, Jumpei Uno, Takuya Tsuji, Toshitsugu Tanaka
Osaka University, Osaka, Japan
Keywords
DEM-CFD, Solid-liquid-gas flow, Volume Penalisation, Surface wetting
Abstract

Solid-liquid-gas three-phase flows are encountered in many industrial processes, e.g.

stirred tank mixing, wet granulation and powder coating. In such processes, the mixture of
particles and fluid is mechanically agitated via complex wall boundaries such as impellers
and screws. The resultant flow can be extremely complex due to the particle-wall, fluid-
wall, particle-particle and particle-fluid interactions as well as the interfacial interactions
such as surface tension and surface wetting. It is of increasing importance to develop
numerical models for better understanding of flows and optimisation of processes.

In the present work, a novel meso-scopic DEM-CFD model combined with both the
Volume Penalisation (VP) and Immersed Free Surface (IFS) models is developed to take
into account the aforementioned complex interactions. Several case studies are
performed to show the validity of the model developed.

96
 90: A DEM simulation of particle interaction in the standing wave acoustic field
Fengxian Fan, Guangning Qu, Mingxu Su
University of Shanghai for Science and Technology, Shanghai, China
Keywords
particle interaction, standing wave, acoustic field, DEM
Abstract

Acoustic field can be applied to promote the interaction between the fine particles
(PM2.5)suspended in the flue gas, leading to particle collision and agglomeration, which
has potential application for the abatement of PM2.5. However, the dynamic behavior of
particle interaction in the acoustic field is still not well understood, thereby severely
restricting the development of practical acoustic particle agglomeration devices. In this
study, a numerical model for interaction between two neighboring particles in the
standing wave acoustic field is developed using the Discrete Element Method (DEM). The
effects of important particle interaction mechanisms, including orthokinetic interaction,
acoustic wake effect and mutual scattering effect, as well as the collision forces are taken
into account. The predicted results by the DEM simulation are compared with the
experimental data to validate the model. The time required for particle collision as well as
the consequences of collision events, such as agglomeration and separation, under
different operational parameters (acoustic intensity, frequency, particle properties, etc.)
are investigated.

97
 91: Simulation model of particle nucleus growth in rolling granulation
Kaito Kimura1, Kizuku Kushimoto1, Shingo Ishihara2, Junya Kano2
1Graduate School of Environmental Studies, Tohoku University, Sendai, Japan
2Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan
Keywords Rolling granulattion, Growth stage, Advanced Distinct Element Method, Simulation.
Abstract The rolling granulation method is a method of making raw material powder into granules
which are required size by using a binder in a container such as pan-type. In this granulation
method, the operation is simple and granules can be obtained in large quantities at relatively low
cost. However, since there are many operation factors (rotational speed of the granulator, particle
diameter of raw material powder) that have affected the granulation performance, it is difficult to
comprehend the relationship between the operation conditions and the physical properties of the
granules. Therefore, there is a problem that it takes a lot of time to optimize and scale up. In order
to solve these problems, approach for prediction of granulation phenomena is required. In recent
years, Distinct Element Method(DEM) is used as one of the approaching.
The mechanism of rolling granulation can be classified into three stages as follows.
(1) Nucleation stage (2) Growth stage (3) Completion stage

In this study, attention was focused on the growth stage of (2) which seems to be the most
important for predicting particle size of granules among these three stage. In the growth stage, the
particle nucleus is consolidated by rolling and the binder is extruded from the inside of the particle
nucleus to the particle surface. After that, it is known that granules grow by adhering to the
surrounding drying particles. However, changes over time in particle diameter of granules is not
reproduced in DEM. Therefore, we attempted to develop a model in which the particle nucleus
grows by involving the surrounding drying particles. On the other hand, it is conceivable that
fracture by rolling occur in the growth stage. Therefore, we used Advanced Distinct Element Method
(ADEM) which can express the behavior of fracture. The particle nucleus was represented by ADEM
particle and drying particles was represented by DEM particles. When drying particles adhere to
ADEM particle which assumes particle nucleus, it was set so that the drying particles were
incorporated by the particle nucleus. This made it possible to express the process of growing the
particles size of granules(Fig.1).

98
92: A new method for experimental validation of DEM simulation results of poly-dispersed
granular flows
Zahra Mansourpour, Mohammad ali Najafi sani
University of Tehran, Tehran, Iran, Islamic Republic of
Keywords
DEM, Poly-dispersed, Experimental validation
Abstract
Discrete element method (DEM) has been successfully applied to simulate granular flows
in a wide variety of configurations. There are numerous experimentally validated
simulations for mono-dispersed systems in the literature. In practice, however, most of
the granular systems consist of poly-dispersed assemblies of particles. Few studies have
considered the effect of polydispersity, and yet fewer have experimentally validated the
results. In this study, a new experimental method is presented to confirm the results of an
in-house developed GPU-based DEM solver capable of simulation of poly-dispersed
systems. Silo discharge is chosen as the case study in which discharge time, flow pattern
and more importantly the outlet composition’s variation with time have been
experimentally evaluated and validated with numerical results. The outlet composition,
which is the ratio of fine to coarse particles in the exit stream, is an essential measure of
segregation within the silo which can be only predicted numerically correctly if the
interaction between fine and coarse particles are modeled precisely. Measuring this
parameter is not possible with common experimental methods in silo discharge study
such as high speed photographing or high-frequency weight measurement of the bed. A
new apparatus has been developed which can measure this parameter. This device is a
compartmented turning wheel that rotates with a motor. It gathers the outlet of the silo
into different compartments. Due to practical limitations, the design and the function of
the apparatus are not ideal. The most important non-ideality is varying rotational speed
which is consequence of sudden addition of a large mass onto the wheel. Back mixing,
distribution of particles with same resident time in different compartments, is another
important problem. These non-idealities must be compensated by the mean of some
post-processing code so that comparable results are obtained from both experiment and
simulation.

99
 93: Evaluating the effect of fine particles in a silo using DEM
Zahra Mansourpour, Mohammad ali Najafi sani
University of Tehran, Tehran, Iran, Islamic Republic of
Keywords
DEM, Silo discharge, Bi-dispersed
Abstract
Discharge time is the most critical factor in the design of a silo. It is a function of different
parameters including bed geometry, outlet size, and particle size. While discharge time
can be regulated by the bottom angle and outlet size of the silo, due to practical
limitations, it may not be an option in some cases. On the one hand, while silos with sharp
bottom angles provide faster discharge rate, their constructions and setup are costlier. In
contrast, flat end or low bottom angle silos are easier and cheaper to be built at the cost
of limited discharge rate. On the other hand, regulation of the discharge rate with altering
geometry is not applicable for existing silos. Another solution is to add finer particles to
the silo which facilitates flow by filling the gaps between main large particles and
smoothen the flow of discrete particles. These finer particles are added to the main
particles stream during the filling process and will be screened and separated from the
outlet stream. The behavior of the silo in the presence of these finer particles must be
anticipated by means of numerical simulation as they can both accelerate or decelerate
the discharge process depends on their size ratio and fraction to the whole volume of
particles. Discrete element method (DEM) is the best option for simulation of such flows
as it can effectively predict the complex behaviors of particle mixtures with wide size
distribution such as segregation, dead zones, and channeling. The problem with DEM
simulation is that the total number of particles become eventually very large after
addition of very fine particles which prolongs simulation runtime. To overcome this
limitation, an in-house, GPU-based, massively parallelized DEM code is developed which
can handle simulation of a large number of particles in an affordable time length.

100
 94: DEM parameter calibration for a semi-2D hopper-silo in a large design space using
discharge paths
Marc Fransen, Dingena Schott
Delft University of Technology, Delft, Netherlands
Keywords DEM Calibration, Design Space, Hopper/Silo, discharge performance
Abstract In design of bulk handling equipment for industrial applications the use of DEM to model
system behaviour is increasingly used to improve equipment performance. Calibration of these DEM
models using experimental data is a necessary step for reliable performance prediction. In many
cases a single geometry is used for calibration. This limits its use in prediction of system behaviour
for other geometries in the design space.
The objective of this study is to calibrate a DEM model over the entire design space of a hopper-silo.
This enables the use of a DEM model to predict the performance of any hopper-silo geometry
located in the design space.

Experimental data is obtained from a semi 2D hopper-silo geometry for which the hopper angle α
and the size of the discharge opening Wo can be adjusted. The material used in this study is gravel
with a Wo of 9mm. Discharge data is obtained through load cell measurements of the experimental
setup, and are recorded for hopper angles from 20 to 90 degrees and discharge openings from 50 to
200 mm. The DEM model is calibrated to the discharge paths observed in the experiments including
start and stop behaviour. Small outlet diameters and large are included to allow arching due to
interlocking or wedging to occur. Furthermore this wide range DoE allows detailed observation of
both mass and coreflow patterns.

The DEM model is calibrated aiming to capture the steady state and transient phases of the
discharge data. Friction parameters are used to minimise the difference between discharge path in
experiments and simulations. The results will show in detail to what extent a single parameter set or
a mapping of parameters is capable of predicting the discharge of a silo in the entire design space.

Figure 1 Definition of hopper angle α and Figure 2 Discharge data for α = 20 deg. and
discharge opening Wo Wo = 50, 75, 100, 150, 200

101
 95: Isotropic compaction of highly deformable particles
David Cantor1, Emilien Azéma2, Mathieu Renouf2, Itthichai Preechawuttipong1
1
Chiang Mai University, Chiang Mai, Thailand
2
Université de Montpellier, Montpellier, France
Keywords NSCD, FEM/DEM, large deformation, hyper elasticity
Abstract Based on the Non Smooth Contact Dynamics (NSCD) framework [1], we study the
behavior of highly deformable particles under isotropic compaction. This method is the
extension of the Contact Dynamics approach [2] to the modeling of collection of
deformable particles, managed by classical Finite Elements. Particle deformation is
managed by an incompressible Neo-Hookean law, while the contacts are handled by a
unilateral condition (no regularization) and a dry Coulomb friction law. The transition
between rigid to soft particle behavior is nicely captured using the ratio between the
Young modulus of the particles (E) and applied pressure (P) on samples composed of 2000
disks (see Fig. 1). The description of the dense granular arrangements is performed in
terms of solid fraction, coordination number, contact force distribution, contact
orientations as a function of P/E.

(a) (b)

Figure 1. Screenshots for samples under a ratio (a) P/E=1.0E-4 (barely deformable) and, (b)
P/E=2.5E-1 (highly deformable). The color intensity displays the horizontal component of the right
Cauchy-Green strain tensor.
[1] M. Jean. The non-smooth contact dynamics method. Comput. Methods Appl. Mech. Eng., 177(3-
4) :235–257, 1999.
[2] J.-J. Moreau. Unilateral Contact and Dry Friction in Finite Freedom Dynamics. In J.-J. Moreau and
P.D. Panagiotopoulos, editors, Nonsmooth Mechanics and Applications, pages 1–82. 1988.

102
 96: The Application of a Hybrid Parallelised Polyhedral Particle Discrete Element Method
Model to the Blast Furnace Charging Process.
Alex Carr1, Marc Holmes1, David Penney1, Nicholas Lavery1, Allert Adema2, Jan van der
Stel2, Steve Brown1
1
Swansea University, Swansea, United Kingdom
2
Tata Steel, Ijmuiden, Netherlands
Keywords
Non-Spherical, Polyhedra, Particle Geometry, Hybrid Parallelisation, Steelmaking, Blast
Furnace
Abstract
This paper presents a polyhedral particle discrete element method (DEM) model for the
charging of TATA Steel blast furnaces. The blast furnace is responsible for the majority of
the energy usage within an integrated steelworks. Flow distribution within the furnace,
and therefore its performance, is highly dependent on the distribution of its burden
material. The burden materials consist of iron ore pellets, lump ore, sinter, coke, and flux.
All of which have a distinctly different shape and size. The non-spherical model is used to
investigate how particle shape affects the depositing of material onto the top layer of the
furnace’s burden. Polyhedra have been chosen as they best represent the angular and
irregular shape of the burden material. Parallelisation is addressed in order to simulate
the number of polyhedral particles required for a blast furnace simulation. By
implementing both shared and distributed memory parallelisms into the code, it is able to
simulate a suitable number of non-spherical particles.

103
 97: Discrete Element Numerical Analysis of Triaxial Unloading Test of Mining Limestone
Xiaoqin Li1, Ping Sheng1, Wenfeng Yang2
1
China University of Mining and Technology, Xuzhou, China
2
Guizhou Survey & Design Research Institute for Water Resources and Hydropower,
Guiyang, China
Keywords
mining unloading, limestone, triaxial test, discrete element simulation
Abstract
Coal mining causes disturbance and redistribution of original rock stress field in overlying
rock strata, which is a typical unloading mechanical process. Unloading rock mass will
show different mechanical properties and failure characteristics from conventional
loading rock mass. Firstly, conventional triaxial tests of the actual limestone samples are
performed. Secondly, a model of the same size PFC3D numerical simulation limestone is
established, and the discrete element numerical triaxial test is carried out. The stress-
strain curves of the numerical specimen are consistent with those of the triaxial tests in
laboratory by adjusting the mesoscopic parameters such as contact modulus, friction
coefficient, particle stiffness ratio and normal contact strength. Finally, numerical tests of
limestone under different initial confining pressures, different unloading rates and
different unloading stress levels are carried out to study the mechanical properties and
meso-failure characteristics of limestone under different unloading stress paths. The
simulation results show that the peak strength and principal stress difference of limestone
increase linearly with the increase of confining pressure. The ultimate bearing strength
increases linearly with the increase of the initial confining pressure of the unloading,
decreases linearly with the increase of the confining pressure unloading rate, and
increases with the increase of the stress level during unloading. The failure characteristics
of limestone under unloading conditions are mainly shear-shear composite failure. As the
initial confining pressure and unloading rate increase, the penetration of the main crack
increases at the peak intensity. With the increase of unloading stress level, the crack
distribution at the peak intensity is more discrete, and the limestone damage is more
severe.

104
 98: On the shear viscosity of fluid-particle system of elliptical porous particles
Jiajia Liu1,2, Chenggong Li1, Mao Ye1, Zhongmin Liu1
1
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
2
University of Chinese Academy of Sciences, Beijing, China
Keywords
rheological properties, multiphase flow, porous structure
Abstract
In view of the significance of non-spherical and permeable particles in fluidized bed
reactors in industrial processes, it is essential to understand and quantify the rheological
properties of multiphase flow in these processes. Many studies have been conducted to
understand the interaction between fluid and solid impermeable particles, which
ultimately aim at the development of rheological formulas of complex multiphase flow.
However, in practice, porous and permeable particles, such as catalyst and absorbent, are
frequently encountered in chemical processes. The porous structure of these particles
may affect the interaction between particles and fluid, and thus affects the rheological
properties of suspensions. In this study, we investigate the shear viscosity of dilute
suspensions containing elliptical porous particles with different axis ratios at low Reynolds
number by use of a modified lattice Boltzmann model. Volume-average macroscopic
governing equations are used to describe the fluid flow around and inside the elliptical
porous particle. The effects of porous structure of elliptical particles with different axis
ratios on viscosities and flow field are investigated in detail. Our results demonstrate that
the shear viscosity of dilute suspension containing elliptical porous particles increases
linearly with solid volume fraction at various permeability for particles with different axis
ratios. Moreover, a simple empirical expression is imposed for intrinsic viscosity as a
function of permeability.

105
 99: Dynamics of discrete wet granular avalanches in a rotary drum
Jens Kasper, Vanessa Magnanimo, Ahmed Jarray
University of Twente, Enschede, Netherlands
Keywords Granular avalanche, liquid induced cohesion, rotary drum, Discrete Element Method
Abstract Landslides are devastating geophysical phenomena, resulting in losses of life and financial
damages in various mountainous regions. Yet, their flow dynamics and stability are still poorly
understood, due to the complex nature of granular flows. In this work, a rotary drum partially filled
with wet granular matter is used to produce avalanches and to mimic the flow of landslides. The
core objective is to gain more knowledge on the physics behind landslides, by measuring the effect
of parameters such as the viscosity and particle size on the avalanche dynamics.
A numerical model, based on the Discrete Element Method (DEM), is used to simulate wet granular
avalanches. In this model, contact forces are simulated using the Hertz-Mindlin model [1], with a
constant directional torque model to account for rolling resistance. Soulié [2] and Nase [3] models
are used to account for capillary and viscous forces between the particles, respectively. In the
simulations, the influence of particle size and liquid viscosity on the angle of repose, velocity profile
and granular temperature, i.e. the averaged fluctuation in particle velocity, is explored.
It is observed that avalanche amplitude increases with particle size, but appears independent of
liquid viscosity, while the avalanche frequency and flow layer velocity decrease with liquid viscosity,
as shown in Figure 1. This indicates that particles tend to clump together more as viscosity
increases, causing the granular flow to behave as a bulk. Additionally, it is found that the ability of
viscous forces to reduce the avalanche frequency decreases with particle size.

Figure 1. Avalanche frequency and flow layer velocity as function of viscosity, for various particle
radii. Magenta points indicate dry conditions.
1. R.D. Mindlin and H. Deresiewicz, Elastic spheres in contact under varying oblique forces, Journal
of applied mechanics, (1953), 20(1):327–344.
2. F. Soulié, F. Cherblanc, M.S. El Youssoufi, and C. Saix, Influence of liquid bridges on the
mechanical behavior of polydisperse granular materials, International Journal for Numerical and
Analytical Methods in Geomechanics, (2005), 30(3):213–228.
3. S.T. Nase, W.L. Vargas, A.A. Abatan, and J.J. McCarthy, Discrete characterization tools for
cohesive granular material, Powder Technology, (2001), 116(2):214–223.

106
 100: Modeling of the magnetic forces acting on locked particles using DEM and FEM
Masanori Kaneko1, Yuki Tsunazawa2, Chiharu Tokoro1
1
Waseda University, Tokyo, Japan
2
National Institute of Advanced Industrial Science and Technology, Ibaraki, Japan
Keywords
Discrete Element Method, Finite Element Method, Magnetic Separation, Locked particle;
Abstract
In powder manufacturing, metal impurities such as iron powder should be appropriately
removed to protect the quality and safety of the final product. This operation is usually
performed by magnetic separation, whose efficiency requires the understanding of the
particle behavior in the magnetic field. Whereas numerical simulations were proven
effective to describe the behavior of completely liberated particles, they have not shown
any satisfying result for locked particles.
The objective of this study was to model the magnetic force acting on locked particles and
to highlight the differences between liberated and locked particles. For this purpose, finite
element method (FEM) simulations were coupled with discrete element method (DEM)
simulations. To simplify the analysis, this study assumed that locked particles were
composed of two minerals with different magnetic permeability. The magnetic field
analysis by FEM revealed that the magnetic force acting on locked particles depends
mostly on their orientation, whereas the magnetic force acting on liberated particles was
invariable. The magnetic anisotropy of locked particles was modeled as a function of 3-
axis magnetization. In addition, the magnetic field around locked particles was modeled
based on superposition of magnetic dipole.
In the simulation, two parameters were investigated, namely fraction of magnetic
material in the particle and particle orientation. Simulation results highlighted that both
parameters affected the behavior of locked particles. Comparative experiments
conducted to support the simulation confirmed qualitatively what observed in the
simulation. Furthermore, experimental results highlighted that the liberated particles
formed a stable and long magnetic particle chain in the magnetic field, while locked
particles formed an unstable and short magnetic particle chain.

107
 101: Particle Dynamic Simulations of Heat Transfer in a Bladed Mixer: Conduction vs.
Convection
Clara Hartmanshenn1, Johannes Khinast2, Benjamin Glasser1
1
Rutgers University, New Brunswick, USA
2
Graz University of Technology, Graz, Austria
Keywords
Heat transfer, bladed mixer, DEM
Abstract
Drying of active pharmaceutical ingredients (APIs) is an important step in the production
of pharmaceuticals that controls the moisture content of the drug crystals. Despite its
widespread implementation, agitated drying remains a challenging manufacturing step for
the pharmaceutical industry. Simultaneous transient changes in heat transfer, mass
transfer, and physicochemical properties occur during drying, making it a complicated
process to understand and optimize. To this end, in this work we decouple the problem
and focus on better understanding the heat transfer component of agitated drying. We
make use of the discrete element method (DEM) to examine both heat transfer and flow
of granular material in a bladed mixer geometry by varying the thermal conductivity of the
particles and the agitation rate. Based on the processing and material conditions, we
capture two important modes of heat transfer: conduction and dry granular convection.
The first mode involves heat exchange through physical contacts between particles, while
the other one describes heat transfer due to movement of particles. We observe that
these modes of heat transfer can be expressed via two relevant time scales. The first time
scale is a conductive time scale that describes the time needed for a single particle in
contact with a heated surface to attain the temperature of said surface. The second time
scale is a mixing time scale that defines the rate at which thermal energy is distributed
throughout the bulk material. By looking at the relative significance of these competing
time scales, we witness and characterize different regimes for heat transfer. Furthermore,
we carry out nondimensionalization of the system and obtain an equation that enables
predicting heating time for a bed given a conductivity and agitation rate within the range
of studied values. Developing such fundamental understanding of heat transfer in a
bladed mixer provides an insight into how the performance of agitated filter dryers and
their scale-up can be optimized.

108
 102: LBM-DEM simulation of shear flow-induced erosion of cohesive granular media
Zeyd Benseghier1, Pablo Cuéllar2, Li-Hua Luu1, Stéphane Bonelli1, Pierre Philippe1
1
IRSTEA, Aix-en-Provence, France
2
BAM, Berlin, Germany
Keywords
LBM, DEM, erosion, cohesive, granular, shear, flow, GPU
Abstract
Quantifying the resistance against erosion of cohesive soils is crucial to prevent the
earthen hydraulic structure (e.g. earth-dams, levees and dikes) from erosion induced
failures. Several testing devices have been developed during the last decades in order to
estimate the soil’s erodibility, i.e. the erosion rate coefficient and the critical fluid shear
stress based on the assumption of a linear excess shear-stress erosion law. The most
commonly used devices are the Jet Erosion Test (JET) and the Hole Erosion Test (HET).
However, to ultimately estimate soils’ erodibility, their interpretations rest on a set of
over-simplified assumptions and empirical correlations.

Based on this background, we adapt here a micro-scale simulation approach in order to

analyse the erosion phenomena at the scale of a representative elementary volume (REV)
of the tested material, aiming to find a link between micro parameters (e.g. the cohesive
bond strength, particle diameter) and macro parameters (e.g. the erosion rate coefficient
and the critical fluid shear stress). The approach consists in coupling the Lattice Boltzmann
Method (LBM) and the Discrete Element Method (DEM) for modeling the fluid phase and
the granular materials, respectively. The frictional DEM scheme was extended with
specific models for intergranular cohesion and time-dependent subcritical damage.

In practical terms, the fully resolved two-dimensional LBM-DEM code was drastically
accelerated using a GPU-based approach and now allows to mimic the overall erosional
phenomena at a reasonable computational cost with a reasonable number of particles
(thousands to tens of thousands).

The particular configuration of the present study is the erosion of a cohesive granular
material stressed at its upper surface by a shear driven (Couette) fluid flow. From the
results of a preliminary parametric study, we found that a power law relating the erosion
rate to the excess shear stress seems more suitable than a simple linear law to estimate
the erodibility of the cohesive material. Furthermore, a comprehensive parametric is now
being carried out to clarify the dependence of the erosion rate coefficient and critical fluid
shear stress with respect to the cohesive bond strength and particle size.

109
 103: Implementation of JKR contact model in LIGGGHTS
Furkhat Khamitov1, Minh Nguyen 2, Yong Zhao1, Sai Fok 1
1
Nazarbayev University, Astana, Kazakhstan.
2
Fulbright University, Ho Chi Minh City, Vietnam
Keywords
JKR model, LIGGGHTS, adhesion, contact force
Abstract
The JKR contact model usually used for auto-adhesive interactions between silt sized
particles, was implemented and further developed in the Open Source
Software LIGGGHTS for the simulation of a cemented sandstone material. In the first stage
of development, the original JKR model has been successfully implemented and verified
with theoretical solutions. The computational algorithms and procedures
in LIGGGHTS were modified to take into account the calculation of negative overlaps
when inter-particle contacts are maintained by the adhesive forces. Contact behavior
between two spheres was simulated and the calculated errors between the simulation
results and the theoretical solutions less than 2,6e-7%. In general, the errors are higher
during contact unloading and at the contact break point. The results show that the total
negative overlap depends on the interface energy value Г. For higher values of Г, the
critical overlap values are larger indicating that the connections between particles under
tension become stronger. Triaxial tests were simulated using the default Hertz contact
model in LIGGGHTS and compared with newly implemented JKR model to demonstrate
the effect of contact bonding on the material behavior. In the next stage of development,
the contact bond model will be modified such that bonding is formed only once as in the
natural intact sandstone and Discrete Element Method model will be coupled with
multiphase flow solver using OPEN FOAM for the simulation of oil flows in sandstone
reservoir.

110
 104: Modelling of sintering effects in macro porous structures with discrete element
method (DEM)
Christoph Ohmstede1, Kaline Furlan2, Rolf Janßen2, Maksym Dosta1, Stefan Heinrich1
1Institute of Solids Process Engineering and Particle Technology, Hamburg University of Technology,
Hamburg
2Institute of Advanced Ceramics, Hamburg University of Technology, Hamburg, Germany

Keywords sintering, macro porous structures, crack formation, ceramics, thermal barrier coatings
Abstract A novel concept for thermal barrier coatings is based on highly porous structures with
three-dimensionally highly-ordered macro pores, also called inverse photonic crystals. In
experiments they show crack formation, delamination and opening of the structure after being
exposed to 1200 °C, due to sintering effects. However, for an application as a TBC, the material
requires to be stable at high temperatures, i.e. maintain its macroscopic photonic and structural
properties. A study using discrete element method (DEM) is done to evaluate the structural changes
of these 3D macro porous structures according to the temperature.
The used DEM contact model, which is based on previous work from sintering science and has been
applied in literature by several authors, describes densification between particles due to sintering
effects and thereby the overall behavior of the structure according to initial cracks and
delamination.

Figure 1 - Comparison between simulation (left) and experiment (right) in top view

Simulation case studies show differences in material transport within the structure leading to the
formation of defects, e.g. initial cracks on the surface (Fig. 1) and within the structure at the struts.
Besides this shrinkage, deformation of pore shapes occur as well as shrinkage of the whole structure
in vertical direction. The influence of different parameters like initial relative density or macro pore
arrangement is investigated and compared with results of experiments to reach a deeper
understanding of the process.

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) –

Projektnummer 192346071 – SFB 986

111
 105: Shear strength of material with size-shape correlated particles
Sandra Linero Molina1,2, Emilien Azema3, Nicolas Estrada4, Stephen Fityus1, John Simmons5, Arcesio
Lizcano6
1University
of Newcastle, Newcastle, Australia
2SRK
Consulting Australasia, Perth, Australia
3University of Montpellier, Montpellier, France
4Universidad de los Andes, Bogota, Colombia
5Sherwood Geotechnical and Research Services, Peregian Beach, Australia
6SRK Consulting, Vancouver, Canada

Keywords Polydispersity, Particle-scale, Particle-shape

Abstract Coarse materials like rock-fill and coarse mine waste must be scalped or scaled for shear
strength testing in the laboratory as the size of commercial equipment is not big enough to test the
full-scale material. Samples of coarse material prepared for testing differ from their prototypes in
the characteristic sizes of the particles and/or the form of the PSD. The representativeness of the
shear strength parameter determined in the laboratory on scaled samples is questionable,
nevertheless they are typically used for geotechnical design without additional consideration.
The particle shapes in a natural mine waste of colluvial sediments derived from eroded ancient
sedimentary rocks from the Pilbara region of Australia was analyzed and a correlation between
shape and size was identified. The fragments have a particle shape ranging from slabs to sub-equant
blocks with a tendency larger particles to be flatter and platy. Therefore, material scaling for shear
strength determinations inevitably alters not only the size of particles and proportion of sizes, but
the characteristic shapes of the material particles as it implies substituting larger (slabs) particles by
smaller (sub-equant) particles.
Simulations with a Discrete Element Method (DEM) reveal that the changes in the shear strength
observed when altering the PSD are not due to the change in particle sizes. Instead, these changes
in shear strength result from the variation of the particle shapes induced by the alteration of the
PSD. This suggests that particle shape is a higher order factor than particle sizes and PSD shape on
the shear strength of granular materials.
In the simulation, the particles were 2D rounded cap rectangles (RCR). Samples with a varied
particle size distribution from uniform to very polydispersity were analyzed with and without
correlation (Discs case) size/particle elongation. The samples were biaxial sheared and the
mechanical behavior compared.
This finding highlights the importance of particle shape quantification in soil classification and its
consideration in activities such as sampling, sub-sampling, and scaling of coarse materials for
geotechnical testing.

Fig: Close-up views of samples at the end of isotropic compression for different size polydispersity. (a) Discs
series. (b) RCRs series. Grey particles represent floating particles (i.e. with 0 or 1 contact).

112
 107: Three-dimensional DEM method analysis of projectile obliquely impacting into
granular media
Xiaoyan Ye1, Dengming Wang1, Xiaojing Zheng 2
1
Lanzhou University, Lanzhou, China. 2 Xidian University, Xi’an, China
Keywords
granular medium, three-dimensional, elastic-plastic, penetration, oblique impact
Abstract
The dynamic process of particle media being impacted is essentially a multi-body collision
problem with nonlinear multi-scale phase features. The penetration dynamics of a
projectile obliquely impacting a bed comprising of smaller granular particles has been
studied in three-dimensions using the elastic-plastic discrete element method. Scaling of
the penetration depth and trajectory of projectile are compared with experimental
observations for different impact velocities and angles. Drag force experienced by the
projectile obeys the generalized force law developed by our group, which is conductive to
understanding the drag force in the recent experimental data.

113
 108: Mechanics and statistics of sea ice loads on marine structures - a FEM-DEM study
Janne Ranta, Arttu Polojärvi, Jukka Tuhkuri
Aalto University School of Engineering, Department of Mechanical Engineering, Espoo,
Finland
Keywords FEM-DEM, ice loads, buckling, force chains, marine structures
Abstract This paper presents our recent research that uses combined finite-discrete
element method simulations to study the failure process of sea ice against an inclined
structure. The complexity of the deterministic failure process requires the use of statistical
methods in the analysis of the output data. The simulations are sensitive to initial
conditions, with a similar sensitivity likely applying on ice-structure interaction processes
in nature, in which the load measurements always show high scatter. In more detail, the
paper focuses on the statistics of the peak ice load values on the structure and on the
mechanics behind the peak ice load values.
We first demonstrate that the simulations yield ice load statistics that compare fairly well
with those based on full-scale observations. Then we present a fairly simple buckling
model that captures the physical phenomena in the simulations: Despite the high scatter
in the peak ice load values, the buckling model normalizes the peak load observations.
The buckling model, thus, connects the peak ice load observations to force chains, known
to have an important role in the ice-structure interaction process, and quantifies the
effect of the force chains. Our results demonstrate how discrete element modeling offers
a platform for in-depth analysis of very complex engineering problems. We are unaware
of any other modeling method, which would yield the findings we present in this paper.

Peak ice load event on an ice-structure interaction simulation: the peak load occurring at
an instance with L=132.7 m of ice being pushed against the structure buckles. The buckled
configuration with L=132.9 m of pushed ice is also shown in the figure.

114
 109: Simulation of composite failure under impact loading using discrete element model
Venkatesh Ananchaperumal, Srikanth Vedantam
Indian Institute of Technology, Madras, Chennai, India
Keywords Composite, impact, failure, delamination, strain-energy, discrete element
Abstract Composites are gaining wider use in applications such as aircraft structures, wind turbine
blades and armour plating of army tanks which may undergo impact loading. Unlike metals, the
failure of composites upon impact is complex due to the heterogeneous nature of the material and
phenomena associated with fibre pull-out, ply-fracture and delamination. Furthermore, failure
modes vary with impact velocity ranging from barely visible impact damage (BVID) with severe
delamination under low velocity to extreme fracture under high velocity [1]. Simulation of these
failures in a composite is challenging owing to the dynamic nature of impact loading which makes
the problem computationally intensive. In addition, a great amount of modelling detail is required
to address the heterogeneity of the composite, interface behaviour, and failure conditions [2,3].
The discrete element method (DEM) can, in general, model material domain discontinuity during
failure and inertial effects during impact loads. However, with the conventional pairwise interaction
between the discrete elements, it is difficult to model the transversely isotropic behaviour of the
composite in three dimensions. We use a novel multibody potential to account for the transversely
isotropic properties of the composite. The interaction force is derived from the strain energy. A
stress-based failure criterion is employed. Figure 1 shows the failure path of the composite ply
reinforced with glass fibres along 45°. Through these simulations, we study the modes and
propagation of failure at the various rates of impact loading on a composite.

Figure 1. Composite ply failed along 45° Figure 2. Force vs. displacement
References:
[1] Tien Wei Shyr and Yu Hao Pan. \Impact resistance and damage characteristics of composite
laminates". In: Composite Structures (2003). ISSN:02638223. DOI: 10.1016/S0263-8223(03)00114-4.
[2] J. P. Hou, N. Petrinic, and C. Ruiz. \A delamination criterion for laminated composites under low-
velocity impact". In: Composites Science and Technology (2001). ISSN: 02663538. DOI:
10.1016/S0266-3538(01)00128-2.
[3] A. Needleman. \Some issues in cohesive surface modeling". In: Procedia IUTAM. 2013. ISBN:
2210-9838. DOI: 10.1016/j.piutam.2014.01.020.

115
 110: Modelling highly dynamic fragmentation of particles using the bonded-cells method
Luisa Fernanda Orozco1,2, Jean-Yves Delenne3, Philippe Sornay2, Farhang Radjai1
1
Laboratoire de Mécanique et Génie Civil (LMGC), Université de Montpellier, CNRS,
Montpellier, France
2
CEA, DEN, DEC, SA3E, LCU, 13108 Saint Paul les Durance, France
3
INRA, UMR IATE, Montpellier, France
Keywords
particle breakage, impact, bonded cell method, dynamic
Abstract
Many industrial granular processes involve desired or undesired fragmentation of grains.
However, despite experimental measurements and numerical modelling approaches, the
mechanisms of single grain fragmentation and its effects on the behaviour of granular
materials are still poorly understood. In this work, we investigate the fracture and
fragmentation of a single grain due to a single impact, using three dimensional DEM
simulations by means of the Contact Dynamics method. The grains are assumed to be
perfectly rigid but modelled as an assembly of glued polyhedral Voronoï cells. The
strength of the glue represents the internal cohesion of the grain along normal and
tangential directions. The numerical method allows us to calculate the forces and torques
at the interface zones between cells. The inter-cell joints can open either in tension (mode
1) or by slippage (mode 2) when the fracture strength is reached and a certain amount of
energy is absorbed by the relative fragments movement. A series of simulations for a
range of different values of parameters (number of cells, fracture strength, impact
velocity) were performed in order to test the energetic aspects of the dynamic
fragmentation of grains.

116
 111: Particle grinding inside rotating drums: method and parametric study
Luisa Fernanda Orozco1,2, Jean-Yves Delenne3, Philippe Sornay2, Farhang Radjai1
1
Laboratoire de Mécanique et Génie Civil (LMGC), Université de Montpellier, CNRS,
Montpellier, France
2
CEA, DEN, DEC, SA3E, LCU, 13108 Saint Paul les Durance, France
3
INRA, UMR IATE, Montpellier, France
Keywords
grinding, particle breakage, rotating drums, mills, granular flow
Abstract
Rotating drums are often used in industrial applications in which the main objective is
reducing the particle size of the material (i.e. particle breakage). Because of the lack of
understanding of the phenomena that take place in such processes, the system
parameters are based on empirical laws. Experimentally, it is difficult to measure
rheological and mechanical properties under such dynamic conditions. DEM simulations
allow one to model the granular flow even under dynamic conditions and to track of the
interactions between the particles. Moreover, by means of the Bonded Cell Method, the
particle fragmentation can be also taken into account. In this work, we report on the
simulations of grinding of granular materials inside rotating drums using Contact
Dynamics. A parametric study of the influence of some operational parameters such as
rotational velocity and the filling degree was performed for the grinding efficiency,
indirectly characterized from the evolution of particle size and specific surface evolution.

117
 113: An Enthalpy Based Discrete Thermal Modelling Framework for Particulate Systems
with Phase Change Materials
Y T Feng, T T Zhao, Michael Barclay
Swansea University, Swansea, United Kingdom
Keywords
Phase Change Materials, Enthalpy Based method, Discrete Thermal Modelling
Abstract
Many particulate systems may be subject to phase change when the temperature
changes. Such phase change materials (PCM) have been extensively used in many
applications, particularly in energy storage in various forms. The current work aims to
develop an enthalpy based discrete thermal formulation that can take both thermal
conductivity and phase change into consideration. The computational aspect of the
formulation will be fully discussed and described. The resulting algorithm is simple and
effective.
In addition, the equivalent thermal properties of bulk particle materials with phase
change will also be derived based on the combination of a multi-scale modelling scheme
and the classic one-phase Stenfan melting problem. The numerical results will be
compared with experimental results to validate the development.

118
 114: Tests and extensions of the mu(I) granular rheology
Philippe Claudin
CNRS - ESPCI, Paris, France
Keywords
Granular rheology
Abstract
The last 15 years have seen major progress in the description on how grains flow. The
framework of the mu(I) rheology, where the effective friction of the system solely
depends on the inertial number of the flow, has proven successful in this modelling. It is
now extended in several ways and challenged by non-local effects. Here we precisely
report recent extensions of the granular rheology, where other parameters are varied,
e.g. grain stiffness, shape or activity, and show how they affect the constitutive laws. We
also discuss further tests where the geometry of the system is changed and where the
hysteretical behaviour of the flow around arrest is studied.

Related publications

[1] M. Bouzid, M. Trulsson, P. Claudin, E. Clément and B. Andreotti,

A non-local rheology for granular flows across yield conditions,
Phys. Rev. Lett. 111, 238301 (2013).
[2] M. Bouzid, M. Trulsson, P. Claudin, E. Clément and B. Andreotti,
Microrheology to probe non-local effects in dense granular flows,
Europhys. Lett. 109, 24002 (2015).
[3] M. Bouzid, A. Izzet, M. Trulsson, E. Clément, P. Claudin and B. Andreotti,
Non-local rheology in dense granular flows -- Revisiting the concept of fluidity,
Eur. Phys. J. E 38, 125 (2015).
[4] A. Peshkov, P. Claudin, E. Clément and B. Andreotti,
Active dry granular flows: Rheology and rigidity transitions,
Europhys. Lett. 116, 14001 (2016).
[5] A. Favier de Coulomb, M. Bouzid, P. Claudin, E. Clément and B. Andreotti,
Rheology of granular flows across the transition from soft to rigid particles,
Phys. Rev. Fluids 2, 102301(R) (2017).
[6] D.B. Nagy, P. Claudin, T. Börzsönyi and E. Somfai,
Rheology of dense granular flows for elongated particles,
Phys. Rev. E 96, 062903 (2017).

119
 115: Strength and fracture of porous, granular and cellular materials by peridynamic
simulations
Xavier Frank1, Jean-Yves Delenne1, Saeid Nezamabadi2,1, Farhang Radjai2,3
1
IATE, CIRAD, INRA, Montpellier SupAgro, Université de Montpellier, Montpellier, France
2
LMGC, Université de Montpellier, CNRS, Montpellier, France
3
<MSE>2, UMI 3466 CNRS-MIT, CEE, MIT, Cambridge CA 02139, USA
Keywords
Peridynamics, Failure, Cemented granular materials, Porous materials, Cellular solids
Abstract
Heterogeneous materials are involved in numerous natural phenomena and industrial
applications. Therefore, it is crucial to understand how macroscopic mechanical
properties of such materials emerge from underlying micro-structure. To address this
topic, numerical simulation approaches are valuable tools, especially when discretization
scale is smaller than micro-structure scale. In such a way, the influence of structural
parameters can be extensively studied.
Among available numerical methods, bond-based peridynamics is a non-local approach
which relies on breakable elastic bonds between distant material points within a
neighborhood of finite size. As peridynamics is a nonlocal approach, the influence of local
mesh anisotropy on crack patterns is significantly reduced, compared with local
approaches like lattice elements method.
In present study, the bond-based peridynamic approach was implemented in 2D and
parallelized by message exchange (MPI). The scalability of the calculation tool and the
mesh convergence were tested. Finally, three cases are studied: 1) the probability of
rupture of porous materials; 2) the evolution of the mechanical properties of a cohesive
granular medium for different cementitious matrix contents; 3) the evolution of the
damage in various phases of a cellular material as a function of cell wall/interface
toughness ratio.

120
 116: Numerical investigation of highly deformable particle systems
Thi Lo Vu, Saeid Nezamabadi, Serge Mora
Université de Montpellier, Montpellier, France
Keywords
Granular materials, soft particles, finite element method, contact dynamics method
Abstract
Granular materials composed of soft particles which can undergo large deformations are
ubiquitous in pharmaceutical, food, cosmetic industries as well as in biological systems.
The large deformations of the particles strongly affect the mechanical behavior of the
system compared to hard particle granular materials which are more often considered in
research on granular materials.
In this work, we investigated and analyzed the rheological behavior of a model system of
deformable neo-hookean particles subjected to uniaxial compressions by means of
numerical approaches. The effect of both friction and bulk modulus of the particules on
the mechanical properties of the systems are clarified, including systems with packing
fractions close to 100%.
The simulation [Fig.1] relies on coupling the Finite Element Method and the Contact
Dynamic Method, taking into account the high deformability of particles and interactions
between them using the software LMGC90 [1].

References

[1] LMGC. Lmgc90. https://git-xen.lmgc.univ-montp2.fr/lmgc90/lmgc90_

user/wikis/home.

121
 117: Coupled CFD-DEM modeling of debris flow over erodible natural terrain
Jidong Zhao, Yong Kong, Xingyue Li
Hong Kong University of Science and Technology, Hong Kong, Hong Kong
Keywords
Coupled CFD-DEM, debris flow, erodible natural terrain, solid-fluid interaction
Abstract
Debris flow consists of debris solids and interstitial fluids where the interactions between
fluids and solids unpin key behavior of the flow, including transportation, impact and
deposition. When a debris flow hits and travels over a natural terrain, its flow kinematics
and mobility may further be complicated by the mass exchanges between the flow and
the channel bed via entrainment and deposition. In this study, we present a unified
computational framework to simulate a debris flow over a natural erodible terrain, based
on coupled computational fluid dynamics and discrete element method (CFD/DEM). In
this approach, we consider a debris flow as a mixture of a continuous viscous fluid phase
including fine sediments and a discrete phase consisting of gap-graded frictional particles.
In simulating the topology of a natural terrain, erodible channel beds are considered with
bonded particles whose mobilization is governed by an erosion criterion. The proposed
computational framework enables us to capture the complicated four-way interactions
during a typical debris flow among the natural terrain, erodible beds, slurry and debris
particles for rigorous modeling of debris flows. The interplays among inter-phase
interactions in a debris flow, bed erosion and debris flow mobility, as well as their
underlying mechanisms are carefully examined. We further employ the Yu Tung Road
debris flow (Hong Kong) as a benchmark case, and compare our numerical predictions
with available data and previous studies. We further discuss the capability of coupled CFD-
DEM in simulating flexible barriers for debris flow mitigation. The study offers a promising
new methodology towards physically based, quantitative modeling and analysis of debris
flows for rigorous hazard zone mapping and mitigation.

122
 118: The Development of Coarse Graining Strategies for Large Scale Granular Systems
based on a Multi-scale Modelling Approach
Y T Feng, T T Zhao, T Qu
Swansea University, Swansea, United Kingdom
Keywords
Coarse graining, Multi-scale Modelling, Discrete Element Method
Abstract
Huge computational costs associated with discrete element modelling of large scale
particle systems have been one of the major factors that hinder the application of DEM to
industrial problems. Coarse graining and multi-scale modelling, together with high
computing platforms, are promising approaches to achieving such a goal.
In the current coarse graining framework, in addition to the upscaling of particle sizes,
interaction laws need to be modified/changed. These are, however, developed often in an
ad-hoc manner, leading to different formulations and different solution accuracy and
efficiency. One the other hand, the multi-scaling modelling has been an effective
approach to representing granular matters as continuous media, in which the equivalent
constitutive models of particles are derived so that a continuous based numerical
methods, such as Finite Elements, can be employed to more effectively solve large scale
particle problems.

This work aims to establish a multi-scale approach based coarse graining framework. In
this approach, some basic conditions or principle for developing coarse graining models
will be emerged from which different coarse graining can be derived.

123
 119: Verlet buffer for broad-phase interaction detection in Discrete Element Method
Abdoul Wahid Mainassara Chekaraou, Xavier Besseron, Alban Rousset, Bernhard Peters
Faculté des Sciences, de la Technologie et de la Communication (FSTC), University of
Luxembourg, Esch sur Alzette, Luxembourg
Keywords
DEM, Collision Detection, broad-phase, Verlet Buffer, HPC
Abstract
The Extended Discrete Element Method (XDEM) is a novel and innovative numerical
simulation technique that extends the dynamics of granular materials or particles as
described through the classical discrete element method (DEM) by additional properties
such as the thermodynamic state, stress/strain for each particle. Such DEM simulations
used by industries to set up their experimental processes are complexes and heavy in
computation time.
Therefore, XDEM is parallelized in MPI/OpenMP in order to be able to process hundreds
of millions of particles. One of the most expensive computation parts of a DEM simulation
is the collision detection of particles classically divided into two steps: the broad-phase
and the narrow-phase. The broad-phase uses simplified bounding volumes to perform an
approximated but fast collision detection. It returns a list of particle pairs that could
interact. The narrow-phase is applied to the result of the broad-phase and returns the
exact list of colliding particles.
In this work, we apply a Verlet buffer method to (X)DEM simulations regardless of which
broad-phase algorithm is used. We rely on the fact that such DEM simulations are
temporal coherent: the neighborhood only changes slightly from the last time-step to the
current time-step. We use an optimization of Verlet list to extend the list of pairs returned
by the broad-phase by stretching each particle's bounding volume with an extension
range (SKIN) based his own characteristics (size, velocity, ...).
In our method, the number of broad-phase to be skipped is not defined beforehand
opposed to what is found in the literature, a condition based on particles displacements
to ensure the validity of the broad-phase is checked at every timestep without incurring
any additional costs. This guarantees identical results because the broad-phase is
performed when any particle moved outside of his SKIN and the narrow-phase is executed
at every time-steps anyway.
We evaluate the influence of the Verlet extension range on the performance of the
execution in terms of computation time and memory consumption and demonstrate that
our method allows to skip a significant number of broad-phase execution (> 95 %)
improving running time up to a factor of 5 on more than 580 cores while maintaining a
reasonable memory consumption.

124
 120: Modelling and rheology of soft granular materials
Saeid Nezamabadi1, Thanh Hai Nguyen2, Xavier Frank3, Jean-Yves Delenne3, Farhang
Radjai1
1
LMGC, Université de Montpellier, CNRS, Montpellier, France
2
Water Resources Engineering Department, University of Science and Technology, Da
Nang, Vietnam
3
IATE, CIRAD, INRA, Montpellier SupAgro, Université de Montpellier, Montpellier, France
Keywords Material point method, Contact dynamics, Soft matter, Granular materials, MPI
Abstract Many materials can be described as granular materials composed of soft or ultra-
soft grains. Most food products, metal powders, microgels and many suspensions are soft-
grain systems. Despite their different mechanisms of deformability, depending on their
composition and structure, their common feature is that they can undergo large strains
without rupture. As a result, these materials can reach high packing fractions beyond
random close packing through both grain rearrangements and grain shape change. Until
now, because of the lack of proper numerical and experimental tools, their compaction
behavior under stress, volume change behaviour under shear and microstructure have
mostly remained unexplored.
In this work, we present a numerical technique to model soft granular materials in which
the grains can undergo extensive shape change and large deformations. It combines an
implicit formalism of the Material Point Method and the Contact Dynamics method [1-3].
In this framework, the large deformations of individual grains as well as their collective
interactions are treated consistently. In order to reduce the computational cost, this
method is parallelised using the Message Passing Interface (MPI) strategy. Using this
approach, we investigate the uniaxial compaction of 2D packings composed of elastic
grains. We consider compressibility rates ranging from fully compressible to
incompressible grains. The packing deformation mechanism is a combination of both grain
rearrangements and large deformations, and leads to high packing fractions beyond the
jamming state. We show that the packing strength declines when the grain
compressibility decreases, and the packing can deform considerably. We also investigate
the evolution of the connectivity of the grains and grain deformation distributions in the
packing.
REFERENCES
[1] S. Nezamabadi, F. Radjai, J. Averseng, J.-Y. Delenne, “Implicit frictional-contact model
for soft particle systems”, Journal of the Mechanics and Physics of Solids, 83: 72-87, 2015.
[2] S. Nezamabadi, T.-H. Nguyen, J.-Y. Delenne, F. Radjai, “Modeling soft granular
materials”, Granular Matter, 19: 8, 2017.
[3] S. Nezamabadi, X. Frank, J.-Y. Delenne, J. Averseng, F. Radjai, “Parallel implicit contact
algorithm for soft particle systems”, Computer Physics Communications, In press.

125
 121: Extended Kinetic Theory for steady, inhomogeneous shearing of spheres
Diego Berzi1, James Jenkins2, Patrick Richard3,4
1Politecnico
di Milano, Milano, Italy
2Cornell
University, Ithaca, USA
3LUNAM Université, Nantes, France
4IFSTTAR, Nantes, France

Keywords Granular flow, phase interface, rheology, kinetic theory

Abstract Extended Kinetic Theory, a kinetic theory of granular gases in which the roles of veclocity correlations,
friction and particle stiffness are taken into account, is able to reproduce the results of Discrete Element Method
(DEM) simulations of soft and hard spheres in steady, homogeneous shearing flows at volume fractions both less
and greater than a critical, above which rate-independent components of the stresses develop (Berzi 2014; Berzi
& Vescovi 2015; Berzi & Jenkins 2015). In steady, homogeneous shearing, the boundaries play no role. A striking
advantage of kinetic theory over any other proposed model of granular flows is that it permits the derivation of
boundary conditions at solid surfaces (Richman 1988; Jenkins 1992; Jenkins & Louge 1997) and phase interfaces
(Jenkins & Askari 1991; Pasini & Jenkins 2005), using arguments of statistical mechanics in the energy and
momentum balances. Those conditions are required when numerically solving the system of partial differential
equations that govern granular flows in realistic geometries. The use of appropriate boundary conditions has
permitted EKT to be successfully tested also against discrete numerical simulations of steady, inhomogeneous
shearing flows of frictionless spheres between bumpy planes in the absence of gravity (Vescovi et al. 2014); and
inclined, gravity-driven, free surface flows of frictional spheres over rigid, bumpy planes, with and without flat,
frictional sidewalls (Gollin et al. 2017). In these flows, the solid volume fraction was always less than the critical.
Here, we apply EKT to steady, inhomogeneous shearing flows in which the solid volume fraction may exceed the
critical value for the development of rate-independent components of the stresses in steady, homogeneous
conditions. An example is the steady, gravity-driven, free surface flow of frictional, soft spheres between flat,
frictional sidewalls, when a sufficient number of particles is fed to the system. In this case, the flow takes place
over an erodible bed in which the particles creep (Komatsu et al. 2001; Richard et al. 2008).
References
Berzi, D. 2014 Extended kinetic theory applied to dense, granular, simple shear flows. Acta Mechanica 225 (8), 2191-
2198.
Berzi, D. & Vescovi, D. 2015 Different singularities in the functions of extended kinetic theory at the origin of the yield
stress in granular flows. Physics of Fluids 27 (1), 013302.
Berzi, D. & Jenkins, J. T. 2015 Steady shearing flows of deformable, inelastic spheres. Soft Matter 11 (24), 4799-4808.
Richman, M. W. 1988 Boundary conditions based upon a modified Maxwellian velocity distribution for flows of identical,
smooth, nearly elastic spheres. Acta Mechanica 75 (1-4), 227-240.
Jenkins, J. T. 1992 Boundary Conditions for Rapid Granular Flow: Flat, Frictional Walls. Journal of Applied Mechanics 59
(1), 120.
Jenkins, J. T. & Louge, M. Y. 1997 On the flux of fluctuation energy in a collisional grain flow at a flat, frictional wall.
Physics of Fluids 9 (10), 2835.
Jenkins, J. T. & Askari, E. 1991 Boundary conditions for rapid granular flows: phase interfaces. Journal of Fluid Mechanics
223, 497-508.
Pasini, J. M. & Jenkins, J. T. 2005 Aeolian transport with collisional suspension. Philosophical transactions. Series A,
Mathematical, physical, and engineering sciences 363 (1832), 1625-46.
Vescovi, D., Berzi, D., Richard, P. & Brodu, N. 2014 Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-
sphere discrete element method simulations. Physics of Fluids 26 (5), 053305.
Gollin, D., Berzi, D. & Bowman, E. T. 2017 Extended kinetic theory applied to inclined granular flows: role of boundaries.
Granular Matter 19, 56.
Komatsu, Teruhisa, Inagaki, Shio, Nakagawa, Naoko & Nasuno, Satoru 2001 Creep Motion in a Granular Pile Exhibiting
Steady Surface Flow. Physical Review Letters 86 (9), 1757-1760.
Richard, P., Valance, a., Metayer, J.-F., Sanchez, P., Crassous, J., Louge, M. & Delannay, R. 2008 Rheology of Confined
Granular Flows: Scale Invariance, Glass Transition, and Friction Weakening. Physical Review Letters 101 (24), 248002.

126
 122: Multi-scale modeling of thermo-mechanical responses of granular materials
Shiwei Zhao, Jidong Zhao
The Hong Kong University of Science and Technology, Kowloon, Hong Kong
Keywords
Multi-scale modeling, granular materials, thermo-mechanical problem, FEM-DEM coupling
Abstract
A hierarchical coupling of the finite element method (FEM) and the discrete element method (DEM)
for modeling thermo-mechanical behaviors of granular materials is proposed. The DEM is employed
to model the thermo-mechanical behaviors of a representative volume element (RVE, a granular
assembly) served as a Gaussian quadrature point shared by two superimposed FEM solutions of two
concurrent boundary value problems (BVPs), i.e., heat conduction and mechanical deformation. The
two concurrent FEMs exchange information (e.g., temperature change and fabric variation) with
one another at each Gaussian quadrature point. The proposed approach is applied to investigating
the thermo-mechanical responses of dense and loose granular materials subjected to thermal-
cycling-induced quasi-static biaxial cyclic compression.

127
 123: Second-order concurrent computational homogenization method for saturated
granular materials
Xikui Li, Songge Zhang, Qinglin Duan
Dalian University of Technology, Dalian, China
Keywords
Saturated granular materials, concurrent computational homogenization method,
Generalized Hill lemma.
Abstract

A framework of second-order concurrent computational homogenization method of

saturated granular materials is established. The generalized Hill’s lemma for the second-
order concurrent computational homogenization method of saturated granular materials
is derived. In light of the derived generalized Hill’s lemma the downscaling rule from the
macroscopic scale of saturated porous gradient Cosserat continuum to the mesoscopic
representative volume element (RVE) scale of saturated porous Cosserat continuum is
specified so that the Hill-Mandel energy equivalence condition for the hydro-mechanical
process in saturated granular material is ensured. The boundary conditions imposed on
the RVE boundary are comprised of downscaled macroscopic strain measures and pore
pressure, and constrained fine scale fluctuations of meso-scopic hydro-mechanical
variables expressed in terms of periodic boundary conditions. A novel scheme for
determining and imposing constrained periodic boundary fluctuations on the RVE of
saturated discrete particle assembly is proposed. A staggered DEM/FEM solution scheme
is presented and implemented for initial and boundary value problems of coupled non-
linear hydro-mechanical analysis at the RVE scale of saturated discrete particle assembly.
With volume averages of the DEM/FEM solutions at the RVE scale, the effective stress
measures with the elasto-damage-healing-plastic modular tensor for the solid phase, the
average pore pressure and Darcy’s velocity with the permeability coefficient tensor for
the liquid phase, are determined and upscaled to the high scale of macroscopic saturated
porous gradient Cosserat continuum. There is no need to specify the macroscopic
phenomenological constitutive relationship and material failure model. A mixed FE is
constructed and the corresponding nonlinear FE procedure with the u-p formulation is
devised for saturated porous gradient Cosserat continuum at the macro-scale. A FEM-
(DEM/FEM) nested solution scheme is devised for implementation of the proposed
second-order concurrent computational homogenization method. Numerical examples
and results demonstrate capabilities and performances of the proposed method in multi-
scale modeling of hydro-mechanical behaviors of saturated granular material.

128
 124: Effects of elastic layers on the behavior of different types of railway ballast under
cyclic loading in a box test: micro-mechanical analysis using DEM
Nishant Kumar, Bettina Suhr, Christof Marte, Klaus Six
Virtual Vehicle Research Center, Graz, Austria
Keywords DEM, Railway ballast, Elastic layer, Conical damage model (CDM), Settlement
Abstract Ballasted tracks are the commonly used railway track systems. They consist of a framework of
rails and sleepers, which are supported on a compacted bed of ballast and sub-ballast that is laid on
subgrade. Due to regular loading of the track with trains, the ballast deteriorates and track settles. Elastic
layers are increasingly used for improving ballasted tracks. In order to better understand the effects of
elastic layers, physical understanding at the ballast particle level is important.
In this study, Discrete Element Method (DEM) is used to investigate the effects of elastic layers on micro-
mechanical behavior of two types of ballast, Kieselkalk and Kalzit. The elastic layers considered are under
sleeper pad (USP) at the sleeper/ballast interface and under ballast mat (UBM) at the ballast/bottom
interface. In the DEM model, the Conical Damage Model (CDM) is used for particle-particle contact
modeling [1, 2]. The CDM model accounts for particle edge breakage, which is an important phenomenon
especially at the early stages of a tamping cycle, and thus essential, when investigating the impact of
elastic layers in the ballast bed. The calibrated CDM model for the two types of ballast was taken from
Suhr et al. [2]. Results from DEM simulations confirm that edge breakage at the sleeper/ballast interface is
reduced during cyclic loading when USP were used. On the other hand, higher particle movement
throughout the ballast bed was observed when UBM were used1. It was found that both the ballast
rearrangement and edge breakage are the responsible mechanisms that effect the (initial) settlement of
the sleeper. Microscopic investigations provide important insights into the dominating mechanism(s)
responsible for the sleeper settlement. The results are in good (qualitative) agreements with experimental
observations from the literature. By considering the edge breakage in the contact model, DEM simulations
can aid to gain better insights into the micro-macro phenomena occurring in railway ballast. This can help
to improve the track components and track design based on simulation models considering the physical
behavior of ballast.
The authors would like to acknowledge the financial support of the COMET K2 – Competence Centers for
Excellent Technologies Programme of the Federal Ministry for Transport, Innovation and Technology
(bmvit), the Federal Ministry for Digital, Business and Enterprise (bmdw), the Austrian Research Promotion
Agency (FFG), the Province of Styria and the Styrian Business Promotion Agency (SFG). Additionally, the
authors acknowledge funding of the Austrian Science Fund (FWF) for the projects P 27147-N30: Short- and
Long-Term Behaviour of Solid-Like Granular Materials and ORD 85-VO: An Open Data Pilot for the
validation of Discrete Element Models.
The authors would furthermore like to express their thanks to their supporting industrial and scientific
project partners, namely Getzner Werkstoffe GmbH, ÖBB Infrastruktur AG, SBB Infrastruktur, voestalpine
Schienen GmbH, voestalpine VAE GmbH and to the Technische Universität Graz.
References:
[1] Harkness, J., Zervos, A., Le Pen, L., Aingaran, S., & Powrie, W. Granular Matter (2016), 18(3), 65.
[2] Suhr, B., Marschnig, S. & Six, K. Granular Matter (2018) 20:70.
1Note that UBM can be useful in reducing ballast fouling, vibration isolation, stiffness adjustment in transition zones and
in bridges/tunnels etc., which is not the objective of the present study.

129
 125: Energy dissipation due to particle size and shape in a sheared granular mixture
Junius André F. Balista1, Gerald G. Pereira2, Paul W. Cleary2
1
University of the Philippines Los Baños, Los Baños, Laguna, Philippines
2
CSIRO, Melbourne, Australia
Keywords
Segregation, Particle properties, Rotating Tumbler, Discrete element method
Abstract

We study the energy dissipation in sheared granular mixtures consisting of particles with
different sizes and shapes. Specifically, we generated energy dissipation spectra from
DEM simulations of binary mixtures of cubical and spherical particles and of large and
small particles in a slowly rotating tumbler. Mixtures of spherical particles of varying
diameter have a single spectral peak while mixtures of cubical and spherical particle have
two broader peaks. We developed an analytic model for these spectra by considering the
particles as damped driven oscillators. The functional forms of the driving forces account
for the sizes and shapes of the particles.

130
126: The mechanism and fracture processes of Baige landslide based on cohesive fracture
model in discrete element method and GPU acceleration
Guang-Yu Liu, Wen-Jie Xu, Nicolin Govender, Daniel Wilke
Tsinghua University, Beijing, China
Keywords
Cohesive fracture model (CFM); discrete element method (DEM); GPU acceleration.
Abstract

Understanding the mechanisms of landslide failure and fracture processes is crucial for
constraining the hazard chain associated with landslide events. The landslides in the upper
reaches of the Jinsha River is intensive, most of which occurred in high mountain gorges.
In these areas, the landsides have special characters such as short sliding distance, high
sliding speed and a large scale. Using the Baige landslide as a model, this paper
reconstructs the three-dimensional failure and fractures development processes during
the landslide based on an investigation of the landslide area and the cohesive fracture
model (CFM) in the discrete element method (DEM). The study investigates the failure
mechanism during the whole process from continuum to dis-continuum of Baige
landslide. The CFM gives an insight into the fracture initialization, propagation, and
interaction inside the Baige landslide. Because of a large scale of the Baige landslide, GPU
acceleration is applied to the simulation.

131
 127: Evolving conditions in granular matters: from numerical DEM results to constitutive
modelling
Dalila Vescovi, Irene Redaelli, Claudio di Prisco
Politecnico di Milano, Milan, Italy
Keywords Constitutive relations; phase transition; unsteady shear flows; numerical
simulations
Abstract This work focuses on the behaviour of granular systems under shearing,
unsteady conditions. We propose a theoretical model, based on the continuum mechanics
approach, able to predict granular flows in both quasi-static and dynamic conditions. The
capability of a granular assembly to behave like a solid, that is to resist applied stresses
without deforming, or to flow like a fluid, depending on the macroscopic characteristics of
the system, is introduced in the theory through appropriate constitutive relations. In
particular, in the constitutive model, both volume fraction and granular temperature have
been chosen as state variables, and the stress tensor is computed as the sum of two
contributions: the quasi-static and the collisional one. The former one is determined by
using an elasto-viscoplastic model including the critical state concept as a limit steady
state, while the latter one is derived from the kinetic theory of granular gases. The
evolution of the granular temperature, fundamentally governing the material solid-to-
fluid phase transition, is obtained by imposing the kinetic fluctuating energy balance.
Moreover, the smooth transition between the two regimes is provided by accounting for
the softness of the particles in the two contributions of the stress tensor. Contrary to the
non realistic case of rigid particles, very dense flow configurations can be attained only
when soft particles are involved. In such conditions, contacts are not instantaneous but
take a finite time during which a part of the energy, the elastic potential energy fraction, is
stored due to the persistent deformations of the particles.
Whereas several numerical results have been obtained in the literature concerning
steady, shearing granular flows, unsteady conditions have been less investigated. In order
to test our model under unsteady conditions, we performed DEM numerical simulations
of time evolving homogeneous shear flows. We considered an assembly of frictional,
deformable spheres, under constant volume conditions. Simulations have been
performed by systematically changing both the volume fraction, ranging from very dilute
to very dense flows, and the shear rate. The proposed theoretical model is quantitatively
compared with the results obtained from the DEM simulations in terms of time evolution
of the granular temperature and main components of the stress tensor. Admissible initial
conditions are imposed in order to reproduce either an initially static system or a system
flowing under stationary conditions.
We show that the present model is in very good agreement with the numerical
simulations, under both fluid-like and solid-like conditions. In particular, it is able to
reproduce different mechanical behaviours, such as purely collisional, visco-elastic or
visco-elasto-plastic which derive from different initial and shearing conditions.

132
 128: Application of coarse grain model in a die filling simulation
Putri Mustika Widartiningsih1, Yuki Mori1, Mikio Sakai2
1
Department of Nuclear Engineering and Management, School of Engineering, The
University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
2
Resilience Engineering Research Center, School of Engineering, The University of Tokyo,
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
Keywords
Coarse grain model, DEM-CFD method, Die filling
Abstract

Various experimental and numerical studies have been performed to demonstrate and
measure the flowability of particles in die filling. Numerical simulation of the behavior of
small-sized particles acting on drag force in a moving boundary is one of the challenges in
the numerical study of die filling process. Small sized and low-density particles are
selected for application of pharmaceutical engineering. In this work, the interaction of
particle-particle and particle-fluid are taken into account. The discrete element method
(DEM), a widely used numerical method in granular flow simulation, is combined with
computational fluid dynamics (CFD) to deal with not only complex particle-fluid
interaction but also wall-fluid interaction. For the sake of industrial die-filling, large
amount of particles is necessary. In the present study, coarse grain model of the DEM is
employed to examine the applicability of the large-scale DEM-CFD simulation in die-filling.
The coarse grain model represents a group of original particles where total energy agrees
between the coarse grain particle and the group of the original particle. In this study,
verification tests are performed by comparing it with the original system to examine the
applicability of the coarse grain model in a die filling system. The verification results
indicate that the coarse grain model can simulate the original system. Consequently,
application of the coarse grain model is shown in the die-filling system.

133
 130: DEM simulations of granulation process in 3D rotating drum
Thanh Trung Vo1,2, Patrick Mutabaruka3, Saeid Nezamabadi1, Jean-Yves Delenne4, Farhang
Radjai1
1
Laboratory of Mechanics and Civil Engineering, Montpellier, France
2
Danang Architecture University, Da Nang, Vietnam
3
MIT, Cambridge, USA. 4INRA-CIRAD-Université de Montpellier-SupAgro, Montpellier,
France
Keywords
granular matter, granulation, capillary bond, Discrete Element Method, rotating drum

Abstract

We study the agglomeration process of wet granular materials in a rotating drum by using
3D DEM simulations. Agglomeration of fine particles is presented in many industrial
processes such as powder metallurgy, iron-making industry, food and pharmaceutical
industries, as well as in natural processes. Fine granular materials are prepared and mixed
in required proportions, compacted into a granule or tablet and finally sintered to acquire
sufficient mechanical strength and toughness needed for subsequent operations. We
present a numerical model for the agglomeration of a single granule in rotating drum [1,
2, 3]. The particles interact through capillary liquid bridges, which are modeled by
accounting for the cohesive and viscous forces expressed analytically as a function of
different parameters such as the distance between primary particles, liquid volume and
viscosity, surface tension and particle sizes. The model also assumes that the liquid is
transported by the primary particles modeled as agglomerates of fine particles. We find
that this model is able to simulate the granulation of particles in a rotating drum in which
a given amount of liquid is homogeneously re-distributed. Our simulations show that the
granule size increases exponentially with the number of drum rotations and in proportion
to the amount of liquid in the pendular state. We investigate the effects of process and
material parameters such as particle size distribution, mean particle size, friction
coefficient between the primary particles and liquid viscosity in each agglomeration
process.

134
 131: Biomass Pellet Breakage: Comparing Bonded Contact Models
Hamid Gilvari, Wiebren de Jong, Dingena Schott
Delft University of Technology, Delft, Netherlands
Keywords DEM, Biomass, Breakage Behaviour, Bonded Particle Model, Timoshenko Beam
Theory
Abstract Biomass pellets, due to their fragile nature, may fracture during transportation
and storage and generate fine particles. Different biomass pellets show different breakage
behavior regarding their physical properties. High strength pellets could tolerate higher
forces resulting in a less brittle nature. However, the physical properties of biomass
pellets have been less considered by the researchers and the breakage behavior is not
fully understood yet.

The breakage behaviour and more specifically the stress-strain curves of biomass pellets
during compression could be investigated experimentally or numerically. Meanwhile, the
Discrete Element Method (DEM) is a proven powerful numerical method for modelling
characteristics of (biomass-based) materials. In DEM, to investigate breakage of pellets, a
biomass pellet particle can be created by filling the cylindrical shape of a pellet with
individual particles that bond together by a suitable contact model. There are multiple
contact models available to establish bonding, however since each contact model has its
own specifications and parameters, results may vary depending on the contact model.

In this research, the breakage behaviour of individual biomass pellets is investigated using
two different DEM contact models; 1) the bonded particle model (BPM), 2) Timoshenko
beam theory model. In BPM, the cylindrical bonds between particles can resist normal and
tangential movement until the maximum normal or tangential stress is reached. After that
point, the bond will break. However, in Timoshenko beam theory, a cylindrical bond
connects every two neighbouring particles where the bonded particles can resist
compressive, tensile, and shear forces at two ends as well as bending and twisting
moments up to a maximum value after which the bond will break.

Different particle packings with a various number of spheres were used in this study. Each
pellet is subjected to a uniaxial compression test, Brazilian tensile test, and a 4-point
bending test where the models' predictions of macroscopic properties of pellets are
compared to those of the experimental results. The macroscopic properties include
maximum stress at failure, strain at failure, and the bulk modulus of elasticity. The results
show that both models reasonably predict the maximum stress values, however, the
Timoshenko beam theory model can predict better the module of elasticity and the strain
values. Therefore, the Timoshenko beam theory is recommended for further investigating
the breakage behaviour of biomass pellets.

135
 132: Numerical modeling of wet agglomerates
Thanh Trung Vo1,2, Patrick Mutabaruka3, Saeid Nezamabadi1, Jean-Yves Delenne4, Farhang
Radjai1
1
Laboratory of Mechanics and Civil Engineering, Montpellier, France
2
Da Nang Architecture University, Da Nang, Vietnam
3
MIT, Cambridge, USA
4
INRA-CIRAD-Université de Montpellier-SupAgro, Montpellier, France
Keywords
granular matter, agglomerate, Discrete Element Method, plastic strength, diametrical
compression
Abstract

We study the effects of material parameters on the plastic properties and texture of wet
agglomerates composed of solid particles by using molecular dynamics simulations under
diametrical compression. The numerical algorithm with a capillary cohesion law in which
the cohesion force is an explicit function of the gap between particles and liquid-vapor
surface tension [1], and the binding liquid content is mainly accounted for a rupture
distance drupt with the binding liquid assumed to be distributed homogeneously inside wet
agglomerates [2, 3]. We present the method and analyze the behavior and evolution of
the microstructure during diametrical compression. We find that due to the
rearrangement of wet primary particles during compression, the granule shows a ductile
behaviour. The compressive strength of wet agglomerates reaches a plateau before
failure due to the irreversible loss of wet contacts between primary particles.

136
 133: Calibration of DEM Parameters for Cohesive Bulk Materials under Rapid Flow
Conditions and Low Consolidation Stresses
Mohsin Ajmal1, Thomas Roessler1, Michael Carr2, Andre Katterfeld1
1
University of Magdeburg, Magdeburg, Germany
2
The University of Newcastle, Newcastle, Australia
Abstract
Discrete Element Method (DEM) is a well-established and validated tool for the simulation
of bulk materials. However, a lot of questions still need answering in the domain of
cohesion and adhesion. Cohesive materials display a wide range of distinct and elusive
properties which contribute towards their reduced flowability.
The JKR model is one of the most widely used models in this realm which takes into
account surface energy density and increased particle overlap to explain cohesion. The
ambiguity associated with surface energy or interfacial energy is tackled in this work by
developing thorough calibration procedures which will help in fine tuning these
parameters. One of the limitations of DEM is the usage of reduced Young’s Modulus to
capture collision time scales for a stable simulation in manageable computational times.
Reducing the Young’s Modulus in a cohesive JKR simulation usually leads to unrealistic
overlaps which can be mitigated by also reducing the surface energy density.
In recent years systematic parameter calibration and validation endeavors have quite
successfully tried to answer those questions on a macroscopic level. This work focuses on
an analytically driven calibration protocol using draw down and angle of repose tests
which can be classified as uniaxial low consolidation tests. Hence, complications due to
high compaction stresses can be neglected. Cohesive DEM parameters will be calibrated
using a combination set of friction coefficients, Young’s Modulus and surface energy
density. The calibration protocol also aids in deciding to which extent these parameters
can be reduced in order to get good agreement between simulation and experiment.
Further investigations will be carried out to assess the effect of cohesion and adhesion on
rolling resistance. The JKR model is used during the exercise due to its robustness,
manageable computational times and a relatively wide area of application. The presented
calibration procedure will allow to narrow down on a unique set of parameters for
different materials.

137
134: A numerical investigation of the effect of particle shape on the friction angle at critical
state
John Harkness, Matt Potticary, Antonis Zervos
University of Southampton, Southampton, United Kingdom
Keywords
DEM, particle shape, railway ballast, numerical modelling
Abstract
The behaviour of a granular material depends on the shape, material properties and
packing of the grains. Starting with a particle characterization, the ability to make
predictions of the macroscopic behaviour of an assembly of particles without recourse to
laboratory or numerical experiments would be very useful. With this ultimate goal in
mind, this work is a detailed investigation of the effects on macroscopic behaviour of two
key measures of particle shape: form and angularity. The form of a particle can be
quantified using the Longest (L), Intermediate (I) and Shortest (S) dimensions of an
equivalent scalene ellipsoid; A sum of the local volumetric deviations from the that
ellipsoid as a ratio of the ellipsoid volume gives a measure of angularity.
Discrete element, periodic cell simulations of ellipsoidal and realistic particle shapes
sampled from railway ballast are used to investigate mechanical behaviour in terms of
void ratio and critical state friction angle. Characterization of the observed behaviour in
terms of a single shape parameter is explored. It is found that deviation of particle form
from that of a sphere together with increases in angularity both lead to higher angles of
friction at critical state. It is argued that, to some extent, the higher critical state strength
exhibited by non-spherical particles is due to form suppressing particle rotation and
leading to increased interparticle sliding, a mechanism that in comparison requires more
energy.

138
 135: DEM-LBM Approach for the Simulation of Dense Granular Suspensions
Lhassan Amarsid1, Patrick Mutabaruka 2, Farhang Radjai1,2, Jean-Yves Delenne3
1
LMGC, CNRS-University of Montpellier, Montpellier, France
2
<MSE2> UMI 3466 CNRS-MIT, Cambridge, USA
3
IATE, UMR1208 INRA - CIRAD - University of Montpellier - SupAgro, Montpellier, France
Keywords
Lattice Boltzmann Method, Discrete Element Modeling, Granular Suspensions
Abstract
Numerical simulations of dense suspensions with a high resolution of the liquid phase
(below the particles scale) requires two-way coupling of particle dynamics with stepwise
resolution of Navier-Stokes equations for the fluid phase. The Lattice Boltzmann Method
(LBM) provides a versatile approach, which has shown its high robustness for the
simulation of simple situations such as the free fall of a particle inside a fluid and for the
calculation of the permeability of a packing of fixes particles [1,2]. We show here how
LBM can be coupled with DEM and parametrised for the simulations of suspensions with
several thousands of particles. In particular, we show the differences between the MRT
and BGK models for the collision term. Then, we briefly present a parametric study of the
effects of fluid properties (viscosity, density), particle properties (size, density) and
boundary conditions (shear rate, confining pressure) in immersed flows. We show that
our results, in terms of effective viscosities of the flow, are in excellent agreement with
reported experiments in literature [3].

[1] Aidun, C.K. and Clausen, J.R., 2010. Lattice-Boltzmann method for complex flows.
Annual review of fluid mechanics, 42, pp.439-472.
[2] Mutabaruka, P., Delenne, J.Y., Soga, K. and Radjai, F., 2014. Initiation of immersed
granular avalanches. Physical Review E, 89(5), p.052203.
[3] Amarsid, L., Delenne, J.Y., Mutabaruka, P., Monerie, Y., Perales, F. and Radjai, F., 2017.
Viscoinertial regime of immersed granular flows. Physical Review E, 96(1), p.012901.

139
136: Exploring Discrete Element Modeling through Non-Convex Chained Polyhedral Shaped
Particles
Patrick Pizette1, Nicolin Govender2,1, Daniel N. Wilke3, Nor-Edine Abriak1
1
IMT Lille Douai, Univ. Lille, EA 4515 - LGCgE – Laboratoire de Génie Civil et
géoEnvironnement, département Génie Civil & Environnemental, F-59000 Lille, France
2
Department of Chemical and Process Engineering, University of Surrey, Guildford GU2
7XH, United Kingdom
3
Centre of Asset and Integrity Management, University of Pretoria, Pretoria, South Africa
Keywords
Modelling, particle shape, non convex particle, granular media, GPU
Abstract The Discrete Element Method (DEM) has recently been extended to a number of
new applications and larger scale studies, in particular due to the computing power of the
Graphic Process Units (GPUs). However, a number of applications has remained elusive
often due to the limited shape representation of particles in conventional discrete
element environments. For example, Yan et al. [1] considered a two-dimensional DEM
using disc shaped particles, while
Yang et al. [2] incorporated elastic-plastic material models into a three-dimensional DEM
model using spherical particles. Often these models need to capture the lack of proper
shape representation, which may lead to poor generalization of the models. In this study
we explore whether there is potential to utilize non-convex chained/linked particles [4].
The capability to model angular chained/linked non-convex particles is currently limited
the BlazeDEM3D-GPU framework [3 , 5]. In addition, BlazeDEM3D-GPU can simulate a
single DEM run on multiple GPUs, which allows for thousands of chained particles to be
modelled.

References
[1] H. Yan, J-T. Zhang & P-C. Zhai (2014) Discrete element modelling on creep behaviour
of PI/SiO2 composite, Materials Research Innovations, 18:sup4, S4-1057-S4-1061.
[2] D. Yang, Y. Sheng, J. Ye, Y. Tan (2010) Discrete element modeling of the microbond test
of fiber reinforced composite, Computational Materials Science, 49:2, 253-259.
[3] Govender, N., Wilke, D.N., Kok, S. (2015) Blaze-DEMGPU: Modular high performance
DEM framework for the GPU architecture, SoftwareX,
[4] Wilke, D.N., Govender, N., Pizette, P., Abriak, N.-E, Computing with non-convex
polyhedra on the GPU , International Conference on Discrete Element Methods, 2016,
Springer Proceedings Phys. 188, 1371–1378 (2017)
[5}Govender, N., Wilke, D.N., Wu, C.-Y., J. Khinast, Pizette, P., Xu, W., Hopper flow of
irregularly shaped particles (non-convex polyhedra): GPU-based DEM simulation and
experimental validation , Chemical Engineering Science, 188, 34-51

140
 137: Adapting and validating a breakage model to discrete elements using polyhedral
particles
Luís Marcelo Tavares1, Flávio Pereira André1, Alexander Potapov2, Clovis Maliska Jr.3
1
Department of Metallurgical and Materials Engineering, COPPE-UFRJ, Universidade
Federal do Rio de Janeiro, Rio de Janeiro, Brazil
2
ESSS Rocky, Bellingham, USA
3
ESSS Rocky, Florianópolis, Brazil
Keywords
Discrete element method, particle breakage, comminution, Rocky DEM
Abstract
In several particulate systems that are object of simulation using the Discrete Element
Method (DEM) breakage of particles can occur. The extent of this breakage can be
significant, such as in crushers and mills, which are meant to do exactly that; or not so
significant, such as when particles are subjected to handling, mixing, compaction and
separation operations, where breakage is not desired. In all these cases, however,
conducting DEM simulations without accounting for breakage can lead to biased results,
and sometimes even useless ones.

The description of breakage in DEM is still limited and very computationally demanding.
Several approaches have been proposed to mimic particle breakage. Yet, these methods
disregard important rock properties and their validation is still scarcely reported. The
Tavares Breakage Model, implemented in Rocky DEM 4.2 commercial platform, covers
important rock behavior characteristics, such as the inherent variation of particles’
fracture energy and the influence of their size and weakening of particles due to damage
accumulation. Rocky DEM also uses polyhedrons to represent particle shape, with mass
and volume conservation after a breakage event.

The model has been tested in different size reduction systems. Tests in laboratory scale,
such as single particle impact tests and breakage of particle in beds demonstrated very
good ability to describe breakage probability and particle size distribution. Particle
weakening has also been assessed by simulation of repetitive impacts, presenting good
agreement between experimental and simulated values. Pilot and industrial scale crushers
and mills were then simulated and compared quantitatively and qualitatively to data. The
outcomes demonstrated the feasibility of adopting the Tavares Breakage Model on Rocky
DEM to simulate several comminution processes.

141
 138: Modeling root growth in a granular soil
Farhang Radjai1,2, Mahmoud Fakih1, Jean-Yves Delenne3, Thierry Fourcaud4
1
LMGC, Montpellier, France
2
MIT, Cambridge, USA
3
INRA, Montpellier, France
4
CIRAD, Montpellier, France
Keywords
Granular soil, root-soil interaction, DEM, force chain
Abstract
The variability of plant root architecture is generally attributed to genetic, physiological
and environmental factors such as the mechanical strength of soil. However, the soil has
often been modeled as a continuum, and the complex particle-scale mechanisms at the
origin of root development are not easily accessible to direct measurements [1,2]. In
particular, a key issue is to determine how the inhomogeneous distribution of force chains
are reflected in the forces experienced by the root cap. We introduce a numerical model
of a growing flexible root inside a granular assembly composed of solid particles. The
particle motions are computed by stepwise integration of the equations of motion for all
particles by accounting for their frictional contact interactions and the gravity and
boundary forces. We use the same framework to model the root, defined as a flexible
tube represented by an array of segments interconnected by linear springs and growing as
a result of its continuous elongation. The general numerical model and simulations are in
two dimensions as the root growth requires long-time simulations and we needed to
perform a large number of independent simulations in order to be able to assess the
variability of the results and the effect of system parameters. We present the particle
interactions and the root model, and we investigate the mean force experienced by the
root cap as a function of root flexibility, gain size, soil cohesion and particle size
distribution. We show that a single dimensionless parameter combining different root and
soil parameters controls the mean force. We also show that the distribution of root cap
forces reflects that of interparticle forces [3].

References

[1] A. G. Bengough, M. F. Bransby, J. Hans, S. J. McKenna, T. J. Roberts, and T. A. Valentine,

Journal of Experimental Botany 57, 437 (2006).
[2] M. Yang, P. Défossez, F. Danjon, S. Dupont, and T. Fourcaud, Plant and Soil 411, 275
(2017).
[3] M. Fakih, J.-Y. Delenne, F. Radjai, T. Fourcaud, « Root growth and force chains in a
granular soil », arXiv preprint arXiv:1811.09342 (2018).

142
139: Influence of lateral confinement on granular flows: comparison between two
geometries
Patrick Richard1, Alexandre Valance2, Riccardo Artoni1, Renaud Delannay2
1
IFSTTAR, Nantes, France
2
Université de Rennes 1, Rennes, France
Keywords granular flows, confinement, non-local effects
Abstract Confined granular flows are strongly influenced by the presence of sidewalls
which can stabilize them [1] or modify the shear localization [2]. This can be explained by
co-operative effects induced by the sidewalls whose lengths might be comparable to the
confinement length. It is therefore crucial to implement accordingly, the effect of
confinement in any model aiming to describe the granular flows.

Yet, from the literature it is unclear if the effect of the confinement depends or not on the
geometry of the flow. Moreover, the question of the boundary conditions that have to be
used at sidewalls is still far from being fully addressed [3,4].

To address these points, we compare here the properties of granular flows in two
different confined geometries. The first one is a confined chute flow for which
stabilization is induced by the sidewalls [1,5]. It allows attaining unexpected high flow
angles [1]. The second is a confined shear cell for which it has been found that the
sidewall friction can modify drastically the shear localization [2,6,7]. In both the cases, the
sidewalls are flat and frictional.

We show that in both the geometries, the importance of confinement on the kinematic
properties of the flow is crucial. In particularly, we show that depending on the flow
regime (sheared or quasi-static) the sidewalls can behave like a granular temperature
source or sink. This result indicates that the effect of the sidewalls, and consequently the
boundary values, are correlated to the flow properties. In both the geometries, the sliding
friction is also studied. A stress analysis also shows that, in both the geometries, the
presence of sidewalls, leads to friction weakening of the flow [5,6] in the creep regions.

[1] N. Taberlet, P. Richard, A. Valance, W. Losert, J.M. Pasini, J.T. Jenkins, R. Delannay,
Phys. Rev. Lett. 91, 264301 (2003)
[2] R. Artoni and P. Richard, Phys. Rev. Lett. 115, 158001 (2015)
[3] P. Jop, Y. Forterre, O. Pouliquen, Journal of Fluid Mechanics 541, 167 (2005)
[4] P. Jop, Nature, 441, 727-730, (2006)
[5] P. Richard, A. Valance, J.F. Metayer, P. Sanchez, J. Crassous, M. Louge, R. Delannay,
Physical Review Letters 101, 248002 ( 4) (2008)
[6] R. Artoni, A. Soligo, J.-M. Paul and P. Richard, Journal Fluid Mechanics, 849, 395-418
(2018)
[7] R. Artoni and P. Richard, Computational Particle Mechanics, 5(1), 3-12 (2018)

143
 140: Peridynamics simulation of particle crushing
Nicolas Blanc1, Xavier Frank1, Claire Mayer-Laigle1, Farhang Radjaï2,3, Jean-Yves Delenne1
1
IATE, CIRAD, INRA, Montpellier SupAgro, Université de Montpellier, Montpellier, France
2
LMGC, Université de Montpellier, CNRS, Montpellier, France
3
MSE2 UMI 3466 CNRS-MIT, DCEE, Massachusetts Institute of Technology, Cambridge,
USA
Keywords
Particle breakage, Peridynamics, Particle size distribution, micro-cracks
Abstract
By means of Peridynamic simulations [1], we investigate the breakage mechanics of
particles under he action of external forces. The particles have an internal texture
composed of a distribution of cleavages (micro-cracks), representing the natural
inhomogeneity of the particles. Mechanical tests were performed on 2D disks under
quasi-static diametral compression for different particle sizes and distributions
of microcracks [2]. The evolution of yield stress with diameter and the probability of
failure in terms of Weibull distributions are investigated. A floodfill algorithm capable of
determining the fragment size distribution after failure allows us to analyse the median
fragment size as a function of the initial density of cleavage. We employ the same
methodology to quantify the effect of the impact energy by varying either the mass or the
velocity of an impactor.

References

[1] X. Frank, J.-Y. Delenne, S. Nezamabadi, F. Radjaï, Strength and fracture of porous,
granular and cellular materials by peridynamic simulations, submitted.
[2] N. Blanc, X. Frank, C. Mayer-Laigle, F. Radjaï and J.-Y. Delenne, Peridynamics simulation
of the comminution of particles containing microcraks, EPJ Web of Conferences 140,
07018 (2017)

144
 141: Creep-like settlement of railway ballast under cyclic loading
Patrick Mutabaruka1, Farhang Radjai2,1, Roland Pellenq1, Franz J.-Ulm1
1
MIT, Cambridge, USA
2
University of Montpellier, Montpellier, France
Keywords
Track Ballast, Modeling, DEM, Contact Dynammics, Differential Settlement
Abstract

Differential settlement of the railway ballast track that occurs on high-speed train
circulation is a major challenge for maintenance as it requires frequent costly tamping
operations to restore the initial ballast track. By means of the Contact Dynamics method,
we model a reduced portion of the ballast track using a library of digitalized ballast grains
settled in a box together with a sleeper on which different types of cyclic loading are
applied. We are interested in the evolution of the settlement under normal conditions
and in the presence of a defect. We consider different values of the sample width, loading
intensity and frequency. We present the numerical model, based on the Contact
Dynamics method. Then, we show that for all the operating parameters, the settlement
follows systematically a creep-like logarithmic settlement law. While increasing the
loading intensity leads to enhanced settlement rate, we find that by increasing the sample
width or the loading frequency the settlement rate declines. We also analyze the
microstructure in terms of coordination numbers and friction mobilisation.

145
 142: Large-Scale MPI Parallelization and RCB Load-Balancing with LIGGGHTS
Christoph Kloss1, Andreas Aigner1, Arno Mayrhofer1, Christopher Stoltz2
1
DCS Computing, Linz, Austria
2
Procter & Gamble, Cincinnati, USA
Keywords
DEM; Load-Balancing; HPC; Scalability
Abstract

Discrete Element Method (DEM) and DEM coupled to Computational Fluid Dynamics
(CFD-DEM) are powerful techniques for optimization and design of particle
processes. Macroscopic granular particles, the flow involving fluids and granular particles
are everywhere - in industry, environment and everyday life. Sugar, sand, ores, tablets,
chemicals, biomass, detergents, plastics, crops, fruits need to be harvested, produced,
processed, transported and stored.

We give an overview of the state of parallelization and recent developments in the frame
of the open source open source DEM software LIGGGHTS®.

In particular, we share scalability benchmark information on a large cluster system, and

present the details of the newly implemented RCB (recursive coordinate bisectioning)
algorithm used for dynamics load-balancing of the simulation.

146
143: Feasibility study of semi-analytical modelling of irregular particle shape and simulation
in discrete element method
Urtė Radvilaitė, Rimantas Kačianauskas, Dainius Rusakevičius
Vilnius Gediminas technical university, Vilnius, Lithuania
Keywords spherical harmonics, irregular particle shape, discrete element method
Abstract Particle shape plays an important role in many granular material processes thus
determining particle shape is a crucial task. Modelling is an indispensable tool for proper
understanding of the behaviour of particulates and discrete element method (DEM) is
often used for this purpose. Numerical solutions to formulate and implement particle
shape models are needed for simulation of particulate materials. However, such models
frequently have limitations and can only be applied for limited type of particle shapes [1,
2].

Spherical harmonics is a powerful mathematical tool that allows to model arbitrary

surfaces. Recently, the series of spherical harmonics (SH) has been applied in many fields
[3, 4]. Modelling technique presented in this work allows obtaining the analytical function
of SH from the experimental surface points. The accuracy of SH models depends on
number of spherical harmonics used in a model.

The aim of this work is to obtain particle models with required accuracy using a small
finite number of SH, where the focus is on the application of the semi-analytical SH
technique to irregular shaped particles. Modelling results are compared to experimental
data.

Also these models are embedded in DEM and several simulations and experiments are
done in order to determine the possibilities of semi-analytical models.

1. Zhong, W., Yu, A., Liu, X., Tong, Z., Zhang, H., 2016. DEM/CFD-DEM Modelling of Non-
spherical Particulate Systems: Theoretical Developments and Applications. Powder
Technol. 302, 108–152. doi:10.1016/j.powtec.2016.07.010
2. Lu, G., Third, J.R., Müller, C.R., 2015. Discrete element models for non-spherical
particle systems: From theoretical developments to applications. Chem. Eng. Sci. 127,
425–465. doi:10.1016/j.ces.2014.11.050
3. Garboczi, E.J., Kushch, V.I., 2015. Computing elastic moduli on 3-D X-ray computed
tomography image stacks. J. Mech. Phys. Solids 76, 84–97.
doi:10.1016/j.jmps.2014.12.003
4. Feinauer, J., Spettl, A., Manke, I., Strege, S., Kwade, A., Pott, A., Schmidt, V., 2015.
Structural characterization of particle systems using spherical harmonics. Mater.
Charact. 106, 123–133. doi:10.1016/j.matchar.2015.05.023

147
 144: LIGGGHTS® and CFDEM®coupling: recent advances, remaining challenges and road
map
Christoph Goniva, Arno Mayrhofer, Christoph Kloss
DCS Computing, Linz, Austria
Keywords
DEM, CFD-DEM, Open Source, Overview
Abstract
Discrete Element Method (DEM) and DEM coupled to Computational Fluid Dynamics
(CFD-DEM) are powerful techniques for optimization and design of particle processes.
Macroscopic granular particles, the flow involving fluids and granular particles are
everywhere - in industry, environment and everyday life. Sugar, sand, ores, tablets,
chemicals, biomass, detergents, plastics, crops, fruits need to be harvested, produced,
processed, transported and stored.
We give an overview of recent developments in the frame of the open source CFD-DEM
software CFDEM®coupling and the open source DEM software LIGGGHTS®. In particular,
we summarize recent implementations and validation efforts regarding non-spherical
shape representation (superquadrics and convex particles), modelling of solid structures
with DEM, energy conservation tracking in DEM, modelling of magnetic dipole interaction
and flexible fibers. We also present progress on immersed boundary / fictitious domain
handling for solid body motion in coupled CFD-DEM simulations, as well as CFD-DEM
models for chemical reactions, heat and mass transfer. On a more general level, we also
summarize parallelization and code efficiency improvement efforts.
Progress and further plans on coupling DEM with averaging techniques (“fastDEM”) to
considerably speed up large-scale simulations are also outlined.
We highlight the possible applications and remaining challenges for DEM and CFD-DEM
modelling in fields such as steel industry, chemical industry, pharmaceutical industry,
consumer goods industry, agricultural machinery production, food production, powder
metallurgy and plastics production

148
 145: Standard Procedure for the Calibration of DEM Parameters of Cohesionless Bulk
Materials
Andre Katterfeld, Thomas Roessler
University of Magdeburg, Magdeburg, Germany
Keywords
Calibration, Standard, Cohesionless, Draw Down, DEM, Parameters, Friction
Abstract
The numerical complexity of Discrete Element Method (DEM) simulations generally forces
an idealisation of DEM models, making the calibration process the key to realistic
simulation results. When calibrating cohesionless, free-flowing bulk materials, individual
simple experiments are commonly used as reference for the calibration, such as the angle
of repose in various test methods. Regardless of the experiment, the calibration is
regularly performed by trial and error, systematic variation of the parameters, or using
optimisation algorithms until a suitable combination of parameters is found. A problem of
the calibration, which is often ignored, is the ambiguity of these parameter combinations.
Thus, there are usually a variety of contact parameters that can map the same
macroscopic reference value.

This paper deals in detail with the ambiguity of parameter combinations during the
calibration process. It shows which standard tests can be used to generate different
experimental reference values for the calibration. The results of simulations with
systematic parameter variation highlight the problem of ambiguity. Subsequently it will be
shown how the combination of different tests can significantly reduce the acceptable
parameter combinations. A modified draw down test will be presented as a calibration
test which can deliver different reference values in a single test. Hence, this calibration
test allows to obtain an almost unique set of DEM parameter.

The paper will show how a unique parameter setting for sliding and rolling friction can be
found for cohesionless gravel with two different particle size distributions as well as the
validation of the behaviour in an additional test scenario.

149
 146: Discrete Element Modeling of Abrasive Wear for Model Calibration
Jose Magalhaes1, Alice Hager2, Christoph Goniva2
1
John Deere, Moline, USA
2
DCS Computing, Linz, Austria
Keywords
DEM, Wear, Calibration
Abstract Abrasive wear is ubiquitous in agricultural machinery. It is also one of a number
of processes which occur when the surfaces of machine components are loaded together
and are subjected to sliding and/or rolling motion or are subjected to sliding moving
materials. The objective of the present work is to compare the abrasive wear on a piece
of machinery predicted by DEM with the experimental data collected using the ASTM-G65
standard.
For the DEM model, the Archard wear equation is used. The Archard wear equation is a
simple model designed to describe sliding wear sliding wear in particular. It is based on
the theory of asperity contact.
We also present the details of the experimental setup along with its advantages and
disadvantages.

150
 147: Effect of particle shape on the shearing behavior of granular materials using a
BlazeDEM-GPU code
Salma Ben-Turkia1,2, Nicolin Govender3, Daniel Wilke4, Wenjie Xu5, Nor-Edine Abriak1
1
IMT Lille Douai, Univ. Lille, EA 4515 – LGCgE- Civil Engineering & Environmental
Department, Douai, France
2
Arab University of Sciences, Tunis, Tunisia
3
Department of Chemical Engineering, University of Surrey, Guildford, United Kingdom
4
Centre for Asset and Integrity Management, University of Pretoria, Pretoria, South Africa
5
Department of Hydraulic Engineering , Tsinghua University, Beijing, China
Keywords
Discrete element method,GPU,shearing,shape
Abstract
Identifying the mechanical properties and energy dissipation of granular materials are
challenging in soil mechanics and industrial applications. The macroscopic behavior of
granular materials cannot be fully predicted using theoretical and empirical methods. The
numerical modelling using discrete element method (DEM) has become essential for
studying the mechanics of granular materials on the mesoscopic grain-scale. This provides
details of quantities that cannot be easily measured experimentally such as contact forces
and contact energies, which is essential to obtain insight into various granular
processes. The quality of the analysis conducted is directly dependent on the quality of
the selected input DEM parameters to obtain a sufficient calibrated DEM model.
Although, particle shape has been shown lately to be an essential parameter to not
oversimplify, e.g. hopper discharge, it remains oversimplified using spherical particles or
clumped-spheres using only two to three spherical particles, due to the high
computational cost associated with more accurate representations. In addition, the
number of particles is usually misrepresented, by significantly fewer particles, due to a
lack of compute resources. GPU computing to compute the DEM has made significant
strides to alleviate these over-simplification by unleashing unprecedented parallel
compute capabilities as demonstrated by BlazeDEM-GPU code developed by Govender et
al. Millions of convex and non-convex polyhedral shaped particles can be computed using
Blaze-DEMGPU. In this study, the importance of particle shape for direct shear tests are
highlighted. This is done by the 3-dimensional modelling of the direct shear test of railway
ballast. In the one model the particles are simplified as spherical particles with rolling
resistances, while the other model represents the particles as convex polyhedral shaped
particles without rolling resistance. Both models are calibrated to their full extent using
our developed radial basis function optimization approach. The macro-scale simulations
results are compared to the macro-scale experimental results, which clearly indicate the
importance of accurately representing particle shape in DEM simulations.

151
 149: A Discrete Element Model involving the breakage of tube-shaped particles
Marta Stasiak, Gaël Combe, Vincent Richefeu
Laboratoire 3SR, Université Grenoble Alpes, Grenoble, France
Abstract
The work focuses on a discrete element model involving the brittle fracture of the tube
shaped particles (shells). In a nutshell, the strategy consists in modelling each shell as an
assembly of sub-shapes that are joined where the shell is expected to break in case of
radial compression. For that reason, the shell is composed of 24 sphero-polyhedral prisms
adjoined so that the predefined discontinuities are radial plans. The adjacent prisms are
connected through 4 sticked links located in each of their corners. A yield criterion is
defined for the breakage in the normal-tangential space of forces. Once the micro-scale
parameters are determined, the analysis continues at the scale of an oedometric test
involving assemblies of these breakable shells. In addition to validating the approach, a
two-scales examination is proposed.

152
 150: Investigation of relationship between shape and flow characteristics of rod-shaped
particles in a hopper: Experimental and numerical studies using pseudo-conservative
polygonal DEM algorithm
Jihoe Kwon1, Dongwoo Ryu1, Sangho Lee1, Heechan Cho2
1
Geo-Platform Division, Korea Institute of Geoscience and Mineral Resources, Daejeon,
Korea, Republic of
2
Seoul National University, Seoul, Korea, Republic of
Keywords
Polygon, DEM, Hopper, Discharge, Non-spherical
Abstract
In this work, the discharge of numerous polygonal shaped particles in a hopper was
investigated. To this end, a two-dimensional polygonal DEM model is proposed and
implemented to simulate hopper operation. Lab-scale experiments were also conducted
for validation. Influence of particle shape, discharge opening and vibration strength has
been investigated numerically and experimentally. The results show that the discharge
rate of non-spherical particles was significantly affected by the shape of particles, and
inter-particle packing property was found to have stronger influence than rolling-related
properties, such as roundness or moment of inertia. Although the discharge rate
increased with increasing initial loading, the discharge rate saturated at over = 30 kg
owing to the so called Janssen’s effect. The discharge corresponding to the change in
particle shape and initial loading was in good agreement between the simulation and
experimental results, at the expense of relatively high computational cost.

153
 153: Wave propagation in sand- Discrete element modelling and PIV analysis
Balamonica K, Kai Yang Toh, Siang Huat Goh
National university of Singapore, Singapore, Singapore
Keywords Wave propagation, discrete element method, PIV analysis, Digital image correlation
Abstract The phenomenon of wave propagation through the soil is an important field of study
as it forms the basis for dynamic response of the soil to vibrations. As the wave passes through
the soil the properties of the waves are modified depending on the media through which it
passes. The velocity of the wave changes based on the soil properties and this greatly affects
the response of the structure. Presently wave propagation in soil can is being modelled using
finite element software such as PLAXIS, DEEPSOIL, OPENSEES etc. All this software utilises the
properties of soil layer through which the wave passes to arrive at the wave propagation
velocity. The major assumption in the present finite element analysis is that the soil is
considered as a continuum, but soil as such is made up of discrete particles and their overall
behaviour is because of the interaction between the particles. The propagation of the waves
also mainly happens through the contacts between the particles. This is the reason why the
denser packing generates greater velocity. In such a condition, modelling the wave
propagation through the discrete element method is a more appropriate way to study the
wave propagation phenomenon. The discrete element method is a recently developed
numerical tool which can model the individual particles in the soil and their interaction. In the
present study, wave propagation through the soil is modelled using an opensource discrete
element software LIGGGHTS. A small tank of size 30cm x 15cm x 22cm is filled with sand
particles of sizes varying from 1.5mm to 3mm (Figure 1). A hammer hit on a plate placed on
the top of sand is used to generate the waves. Two accelerometers are embedded at known
depths to capture the wave. A high-speed camera is placed in front of the experimental box to
record the propagation of the waves at a frame rate of 30000fps. The propagation velocity of
the wave and the attenuation is captured using Particle image velocimetry (PIV) method using
the images obtained during experiment. The experiment is modelled in discrete element
method using characterised contact parameters and the wave propagation velocity obtained is
compared with the one obtained from the experiments and from the accelerometers.

Figure 1: Experimental setup for small-scale experiment.

154
 154: DEM simulation of rock particle breakage under different impact velocities
Honghua Zhao1,2, Jin Zhang1,2
1
State key laboratory of structural analysis for industrial equipment, Dalian, China
2
Dalian University of Technology, Dalian, China
Keywords
rock particle, impact loading, breakage DEM
Abstract
Fragmentation of unconfined cylindrical specimens of rock due to different impact
velocity has been investigated in this paper based on discrete element method (DEM)
simulations. In the DEM model, the impactor and rock model is built by bonding rigid
particles together and presented the actual size of the testing sample. The numerical
model is first calibrated by comparing the stress-strain curves obtained from SHPB tests.
Since the bond strength is an intrinsic parameter of the model and can’t be calibrated by
the test, we have established a speed-dependent bond strength criterion that can serve as
a guide for the parameter selection for future simulations. The energy analysis and crack
propagation in the impact crushing process were studied using the well-calibrated model.
The results of energy analysis show that the rock fracture has its maximum rupture energy
and with the increase of velocity, the friction loss becomes the main form of energy
dissipation. The crack propagation results show that the number of cracks increases with
the rising of the impact velocity, and the cracks which don’t expand at low speeds will
occur at high speeds, but the crack frame and the direction of expansion are roughly
consistent, which also proves the fractal nature in rock fragmentation process.

155
 155: Numerical study of granular chute flow problem using Contact Dynamics
Abhijit Hegde, Tejas Murthy
Indian Institute of Science, Bengaluru, India
Keywords
Dense granular flow, chute flow, Contact Dynamics, boundary layer.
Abstract
We present an extensive numerical study on a dense granular pile settling/flowing on an
inclined plane. In such a problem, rapid flow and slow flow regimes of granular materials
can co-exist. We have used an open-source, contact dynamics-based DEM software called
SOLFEC to study the chute flow problem over a range of parameters. We critically
examine flow characteristics of granular materials when the friction condition at the base
of the chute is changed from a frictional to completely frictionless case. We observe that
the velocity, packing fraction and temperature profiles are completely different in both
the cases. For the frictional case, we observe a boundary layer near the bed which is
about 2-3 particle diameters thick. Contrary to what is observed in the case of fluids, the
thickness of this boundary layer remains nearly the same throughout the flow and is also
independent of the angle of inclination. We also observe that the value of friction-
coefficient between the particles and the base does not affect the thickness of this shear
layer. This observation that yielding/failure occurs within the material rather than at the
base is in good agreement with experimental observations.

156
 156: DEM investigation of the breakage of wet flexible fiber agglomerates impacting a
plane
Jiecheng Yang1, Liliana Bello2, Kevin Buettner2, Yu Guo3, Carl Wassgren4, Jennifer Curtis1
1
Department of Chemical Engineering, University of California Davis, Davis, USA
2
Department of Chemical Engineering, University of Florida, Gainesville, USA
3
Department of Engineering Mechanics, Zhejiang University, Hangzhou, China
4
School of Mechanical Engineering, Purdue University, West Lafayette, USA
Keywords
Agglomerate breakage, Flexible fiber, Liquid bridge force, Discrete Element Method
Abstract
The breakage of an agglomerate of wet flexible fibers impacting a plane, which is
prevalent in the biomass fuels production processes, is investigated in this work using the
discrete element method (DEM). The wet flexible fibers are aggregated due to cohesive
liquid-bridge forces. Agglomerate breakage with various impact conditions, initial
configurations, fiber properties, and liquid bridge properties is systematically investigated.
The degree of breakage is governed by the impact energy, the cohesion energy due to
liquid bridges, the energy dissipation/absorption through fiber-fiber contacts and fiber
deformation, and the efficiency of energy and force transmission within the
agglomerate. More specifically, breakage is promoted by increasing impact velocity,
decreasing agglomerate size, increasing initial compaction, increasing fiber bending
modulus, increasing fiber aspect ratio, decreasing liquid surface tension, and decreasing
liquid-to-solid volume ratio. Breakage is strongly dependent on the modified Weber
number, i.e., the ratio of the Weber number to a dimensionless rupture distance, which is
a measure of the impact energy relative to the cohesion energy.

157
 157: A Combined Discrete Element Method and Evolutionary Algorithm Approach to
Designing New Fit for Purpose Granular Materials
Gary Delaney1, David Howard2
1CSIRO Data61, Melbourne, Australia
2CSIRO Data61, Brisbane, Australia

Keywords Evolutionary Algorithms, DEM, Machine Learning, Materials Design

Abstract We apply a combination of the Discrete Element Method and Evolutionary Algorithms to develop new
fit for purpose granular materials that are tailored to specific applications. These applications range from
determining optimal morphologies and compositions of granular materials for maximum density, through to
more complex optimisation of material properties and device design for maximum performance.

We utilize a fully dynamic linear spring Discrete Element Method (DEM) simulation that allows for the
specification of the particle properties including the sizes, masses, inter-particle friction, coefficient of
restitution, particle shape and their interaction with arbitrary dynamic mesh objects. Further details of our DEM
technique are given in ref. [1]. In our model particle shapes are represented as superellipsoids, giving us the
ability to investigate a broad range of particle shapes, smoothly transitioning through a range of surface
curvatures and aspect ratios. [2].

Evolutionary algorithms employ techniques inspired by biological evolution such as reproduction, mutation,
recombination, and selection to optimise a population of candidate solutions (individuals) based on a specified
fitness function [3]. Figure 1 shows an example evolution of the fitness (here specified as the packing fraction) of
a population of bidisperse packings of superellipsoids, where we have allowed the shape parameter and aspect
ratios of each species to be varied. The evolutionary algorithm iteratively explores the parameter space,
improving both the maximum and mean fitness of the population of candidate solutions, converging on final
shapes that balance the relative contributions of surface curvature and aspect ratio for each species. This
approach can be used to optimise any desired properties of the granular material and the properties of
simulated dynamic mesh objects that the material is interacting with.

Figure 1: (Left) Image of a dense bidisperse packing of superellipsoids obtained via an evolutionary approach. (Right)
Evolution of the fitness (packing fraction) over 21 generations for a population of bidisperse packings of superellipsoids.

References
[1] G. W. Delaney and P. W. Cleary, “The packing properties of superellipsoids,” EPL (Europhysics Letters), vol. 89, p.
34002, Feb. 2010.
[2] F. M. Schaller, M. Neudecker, M. Saadatfar, G. W. Delaney, G. E. Schrder-Turk, and M. Schrter, “Local Origin of Global
Contact Numbers in Frictional Ellipsoid Packings,” Physical Review Letters, vol. 114, p. 158001, Apr. 2015.
[3] J. Collins, W. Geles, D. Howard, and F. D. Maire, “Towards the targeted environment-specific evolution of robot
components,” in School of Electrical Engineering & Computer Science; Science & Engineering Faculty, (Kyoto, Japan),
ACM, July 2018.

158
 158: DEM Modelling of Metal Powder Flow in Additive Manufacturing Systems
Gary Delaney1, Stefan Gulizia2, Vincent Lemiale1, Christian Doblin3, Anthony Murphuy4
1CSIRO Data61, Melbourne, Australia
2CSIRO Manufacturing, Melbourne, Australia
3CSIRO Manufacturing, Melbourne, Australia
4CSIRO Manufacturing, Sydney, Australia

Keywords Additive Manufacturing, Powder Bed, Powder Morphology, Selective Laser Melting
Abstract The Discrete Element Method is a powerful tool for studying the complex flow behavior of
granular systems in modern industrial devices, allowing for precise specification of the detailed
geometry of the device, the particle morphology and the interaction properties of the individual
particles.
We present results of a discrete element method (DEM) model of metal powder flow in an additive
manufacturing device. In powder-bed based metal additive manufacturing applications, the addition
of the powder layers is the crucial first step in building up of the part in 3D and has a significant
impact on final part quality. A common technique employed is to add successive layers of metal
powder by raking a new layer across the existing surface. Understanding this raking process and
how the properties of the powder particles (e.g. size, shape, density, interaction properties) and
process parameters (e.g. height of powder layer, rake geometry, rake speed) affect the properties of
the bed after raking is crucial in optimizing the performance of the system and ensuring the quality
of the 3D-printed part.

Our DEM model directly incorporates the powder’s particle size distribution, particle shapes and
experimental measurements of the powder flowability. Results will be presented of the raking of
both Arcam Titanium powder and CSIRO Manipulated Titanium Powder, with comparisons to
detailed experimental data characterizing the powder bed structure after the addition of a powder
layer.

Figure 1: Discrete Element Method Simulation of the addition of a layer of metal powder via raking
in a 3D printing device. Particles are coloured by velocity.

159
 159: Calibration and Simulation of Breakage by using DEM
Marina Sousani1, Anderson Chagas2, Carles Bosch Padros1, Amit Saxena3, Youqing Yang3
1DEM Solutions Ltd, Edinburgh, United Kingdom
2Institute for Particle Technology (iPAT), Braunschweig, Germany
3ME ELECMETAL, Minneapolis, USA

Keywords DEM, Breakage, Calibration, Abrasion

Abstract This work presents a simulation of an industrial milling process with the use of an advanced breakage model. The
presented model is based on the Discrete Element Methodology (DEM) [1] and focuses on demonstrating the capabilities of the
model to capture the different breakage mechanisms and provide quantitative analysis.
Particle breakage and subsequent size reduction is a perpetual problem across a wide range of industries including the food,
chemical, mineral and pharmaceutical sectors which encompass an even wider range of processed materials [2,3]. The
phenomenon of breakage includes different mechanisms, starting with abrasion (or degradation, weakening, damage) by
repeated low energy stressing events and resulting to final body breakage. This is an important subject that range from materials
handling to comminution. There are many applications where undesirable degradation can take place such as cyclones, fluidized
beds, centrifuges, stirred vessels; and in transport equipment, such as pneumatic, screw and hydraulic conveyors and chutes
[4,5]. For instance, degradation is of relevance from materials such as coal and iron ore lumps, used in steelmaking, to fine
powders that are processed in the chemical, food and pharmaceutical industries [6-8]. Another example in which degradation is
actually desirable is the case of crystallization processes as it is used to provide a consistent size distribution, which would not be
achieved through controlled crystal growth alone [9,10].
Research has shown that particles are often loaded using insufficient energy to cause breakage inside comminution equipment,
being fractured only after repeated low-energy stressing. This has been particularly well-known for autogenous and
semiautogenous mills, where rock lumps are broken by a combination of attrition and self-induced impact-fracture [11].
Breakage by repeated stressing is also the major mode of breakage for coarse particles used in the mining and mineral
processing sectors. Therefore, this mode of particle fracture is likely to be of significance for applications that use crushers too.
This has led to an increased demand in the simulation of particle breakage and degradation to better describe the fracture of
particles subjected to repeated loading.
This work simulates a pilot-scale milling application from MEGlobal with the aim to assess the performance of the equipment
and the resulting material after the end of the process. The material used is iron ore and is being processed in 3 different tests
with the use of steel balls, that help towards the breakage of the particles, during the rotation of the drum. The virtual material is
simulated by using single spheres and is described by specific DEM parameters to resemble the real iron ore, while the
kinematics of the virtual geometry replicates the mill. Furthermore, the threshold of the material to breakage is described by a
number of inputs such as, its fracture energy distribution and the minimum size that the particles can break to. Once the impact
energy exceeds the maximum energy that the particle can withstand, then they break and are replaced by fragments. The size
distribution of the fragments is defined by using the t10 parameter. The presented breakage model is based on the work of
Tavares, M. (2009) reflecting the latest advances in research thus provides information on the final particle size distribution, the
mass loss that the particle suffers due to abrasion, the new fracture energy per particle type, as well as the required power mill.
This type of analysis brings great benefits to a wide range of industries as it enables the assessment of the performance of
comminution apparatus and/or other equipment where breakage is a by-product.
References
1. Cundall P.A. and Strack O.D.L. (1979) A discrete numerical model for granular assemblies. Géotechnique, 29(1): p. 47-65.
10.1680/geot.1979.29.1.47
2. da Cunha E.R. et al. (2018) On the limitation of using the JKRBT in investigating incremental breakage. Minerals Engineering, 118: p.
33-36.
3. Yahyaei M. et al. (2015) Characterisation of superficial breakage using multi-size pilot mills. Minerals Engineering, 81: p. 71-78.
4. Zhou J.-W. et al. (2017) Effect of the particle shape and swirling intensity on the breakage of lump coal particle in pneumatic
conveying. Powder Technology, 317: p. 438-448
5. Wei J. et al. (2017) The gas-solid flow characteristics of cyclones. Powder Technology, 308: p. 178-192.
6. Nguyen T. et al. (2014) Numerical study of agglomerate abrasion in a tumbling mixer. Chemical Engineering Science, 114: p. 21-29.
7. Fries L. et al. (2013) Collision dynamics in fluidised bed granulators: A DEM-CFD study. Chemical Engineering Science, 86: p. 108-123.
8. Hare C. et al. (2011) Prediction of attrition in agitated particle beds. Chemical Engineering Science, 66(20): p. 4757-4770.
9. Lu J. and Wang J.-K. (2006) Agglomeration, Breakage, Population Balance, And Crystallization Kinetics Of Reactive Precipitation
Process. Chemical Engineering Communications, 193(7): p. 891-902. 10.1080/00986440500267402
10. Pohar A. and Likozar B. (2014) Dissolution, Nucleation, Crystal Growth, Crystal Aggregation, and Particle Breakage of Amlodipine
Salts: Modeling Crystallization Kinetics and Thermodynamic Equilibrium, Scale-up, and Optimization. Industrial & Engineering
Chemistry Research, 53(26)
11. de Carvalho M.R. (2013) Mechanistic Modelling Of Semi-Autogenous Grinding. Center of Technology, UFRJ/COPPE. University of Rio
de Janeiro.
12. Tavares L.M. (2009) Analysis of particle fracture by repeated stressing as damage accumulation. Powder Technology, 190(3): p. 327-
339.

160
160: Minimization of wear in a transfer chute by geometric optimization of convex pattern
surface: A DEM study
Yunpeng Yan1, Wouter Vreeburg1, Guangming Chen2, Dingena Schott1
1Delft University of Technology, Department of Maritime and Transport Technology, Delft,
Netherlands
2College of Mechanical and Electrical Engineering, Nanjing University of Aeronautics and

Astronautics, Nanjing, 210016, China, Nanjing, China

Keywords transfer chute, material equipment interaction, wear reduction, DEM
Abstract Using bionic surface on the material equipment interface of bulk handling equipment is a
promising solution for wear reduction. A bionic surface is a flat surface outfitted with a pattern of
convexes that disrupt the natural sliding flow of bulk material. Previous numerical work has shown a
significant reduction of wear of bionic surfaces compared to a smooth surface [1].
The aim of this paper is to find the optimal configuration of bionic surfaces in order to minimize
wear in transfer chutes. Four geometric parameters were introduced to define the shape and size of
these convex patterns (see Figure 1). The geometric convex patterns were evaluated with the aid of
Discrete Element Method (DEM). The simulated material was iron ore with d50 of 10 mm sliding
down a smooth chute transitioning into bionic surfaces of different geometric configurations. Hertz-
Mindlin (no slip) model and Archard wear model were implemented to calculate the sliding wear
volume. The experimental plan was based on a full factorial design, which varied the parameters of
a0, a0:b0, c0 and d0.

Simulation results show that different patterns of convexes have different influence on wear
volumes and velocities of particles. The factors a0 and d0 of each pattern have significant influence
on sliding wear, while there are insignificant interactions between geometric parameters. It is found
that the existence of convex patterns makes the particles closest to the chute’s surface have the
tendency to slow down, causing the remainder of the particles to slide and roll over these bottom
particles instead of sliding directly over the surface, which reduces the chute’s wear.

Figure 1: Geometric Parameters determining shape of bionic surface

[1] G. Chen, Surface Wear Reduction of Bulk Solids Handling Equipment Using Bionic Design, Ph.D. thesis,
TU Delft (2017).

161
 161: Bridging the gap between MD and DEM: Models for particle systems on the nano to
micro scale
Philipp Nicolas Depta1, Uwe Jandt2, Sibel Ilhan2, Cornelius Jacobi2, Maksym Dosta1, An-Ping Zeng2, Stefan
Heinrich1
1Hamburg University of Technology, SPE, Hamburg, Germany
2Hamburg University of Technology, IBB, Hamburg, Germany
Keywords MD, DEM, MDEM, CFD, enzyme, PDC, biological structures, biocatalysis
Abstract Discrete particle systems are present in many applications of biotechnology and process engineering
and the physical phenomena involved therein spread over vast scales of size and time. Depending on the scale of
interest, various models have been developed for discrete systems, either in the DEM framework (typically
>10µm) or MD framework (typically <100nm). However, models bridging the gap between the two regimes and
frameworks are rather scarce and will be addressed in this contribution. These scales are especially interesting
for biological structures, such as enzymes, which can be looked at as functional particles with interesting
properties concerning their interaction, agglomeration (i.e. structural formation), and reactive process
properties. Such systems have received increasing interest in recent years [1] and as they are difficult to
investigate experimentally in detail [2], the need for modeling techniques on this scale is driven.
To gain insight, we develop models to transfer the essential
dynamics and complex interaction behavior from MD to DEM (see
Fig. 1) in a modeling methodology termed by us the molecular
discrete element method “MDEM”. In the regime between 100nm
and 10µm diffusive effects are significant and interaction of
particles is anisotropic (influenced by e.g. shape, electric charge,
atomic structure). To capture this, we developed a force-based
diffusion model for DEM [3] and complex data-driven interaction
models derived from MD [4-6] (both atomistic and coarse-grained)
simulations. The diffusion model [3] is generally applicable to any
diffusive process in DEM to enforce a canonical ensemble (i.e.
constant temperature) and additionally enables a straightforward
coupling to CFD. The models are parameterized “bottom-up” and
validated “top-down” by comparison with experimental data, which
is obtained from biolayer interferometry (BLI) and dynamic light
scattering (DLS). As a model system the multi-enzyme Pyruvate
Figure 1: Multiscale modeling Dehydrogenase Complex (PDC) is used, as it features organized self-
methodology structuring processes and a highly regulated multi-enzymatic
machinery dependent upon the structure.
Obtained results for PDC components show that the dynamic formation and breakup of enzymatic agglomerates
can be predicted using the developed DEM diffusion model [3] jointly with complex interaction forces derived
from MD. This approach requires no experimental data fitting and produces accurate scale-bridging kinetics as
well as agglomerate sizes matching corresponding dynamic light scattering data [2].
We gratefully acknowledge financial support by the DFG (SPP 1934) and BMBF (031B0222).
[1] Castellana et al. (2014). Nature biotechnology, 32(10), 1011-1018.
[2] Guo et al. (2017). Biochemical Journal, 474(5), 865-875.
[3] Depta et al. (2018). JCIM, DOI: 10.1021/acs.jcim.8b00613
[4] Hezaveh et al. (2017). ACS Omega, 2(3), 1134-1145.
[5] Hezaveh et al. (2018). JCIM, DOI: 10.1021/acs.jcim.7b00557.
[6] Hezaveh et al. (2016). J. Phys. Chem. B, 120(19), 4399-4409.

162
 162: Discrete modeling of silo discharge on flow behavior characterization
Dancheng Zhang, Shijie Dong, Xiaoxing Liu
Institute of Process Engineering,CAS, Beijing, China
Keywords
Granular flow, DEM, silo, velocity fluctuation
Abstract

The discharge behavior of granular material from flat-bottomed silo was investigated by
performing Discrete Element Method (DEM) simulations. Regular velocity fluctuation was
observed in both funnel flow and semi-mass flow regimes. The characteristics of velocity
fluctuation along the vertical and horizontal directions were carefully examined. It was
found that the velocity fluctuation was closely correlated with the fluctuation of particle
contact force. The fluctuations were found to take the form of waves initiating from the
lower center of the silo and propagating in the opposite direction of the granular flow.
Quantitative characterizations of these waves including the frequency, amplitude and
propagation velocity were performed.

163
 163: Quantitative Simulation of Mechanical Properties of Porous Ceramic Materials by
Discrete Element Method
Guozhi Hu, Shuang Zhou, Xiaoxing Liu
Institute of Process Engineering,CAS, Beijing, China
Keywords
porous ceramic, particulate material, fracture, crack
Abstract
In this work, the mechanical response of porous ceramic was investigated by performing
discrete element method (DEM) simulations. To account for the spatial coupling effect of
solid bonds under multi-contact condition, the classic Hertz contact model was modified
by introducing a correct factor which reflects the influences of contact size in-between
grains and the geometrical arrangement of grains. The quantitative predicting ability of
the built DEM framework was then evaluated by using the partially sintered alumina
ceramic as investigated system. It was demonstrated that the predicted effective Young’s
modulus and fracture strength are both in quantitative agreement with experimental
data. As to partially sintered alumina ceramic containing large pores, both the interaction
behavior between pores and the influence of pore arrangement on effective Young’s
modulus and fracture strength predicted by the theoretical analyses or finite element
method were successfully captured by our DEM simulations. All these quantitative
comparisons demonstrate that the built DEM framework can be used to quantitatively
model the mechanical properties of porous ceramics.

164
 164: High speed granular flows down inclines
Alexandre Valance, Renaud Delannay, Yajuan Zhu
Institut de Physique de Rennes, CNRS & Univ Rennes, Rennes, France
Keywords
Granular flows, discrete element method (DEM)
Abstract
We investigate numerically high speed granular flows down
inclines. Recent numerical works have highlighted that the presence of lateral frictional
walls allows to produce novel Steady and Fully Developed (SFD) flow regimes at high angle
of inclination where accelerated regimes are usually expected (Brodu et al., 2015).
These SFD regimes present non-trivial features, including secondary flows with
longitudinal vortices and “supported“ flows characterized by a central and dense core
supported by a very agitated dilute layer.

We present a review of these new regimes and provide their domain of existence in the
parameter space including the mass hold-up M and the inclination angle θ. We also
investigate the sensitivity of these states to the gap width W between the lateral walls
and the wall friction μW .

We emphasize two salient outcomes. (I) First, our simulations reveal that secondary and
supported flows disappear for small gap width (typically, W<20D, where D is the particle
size) and low wall friction (typically, μW<0.5). (ii) Second, despite the diversity of the
features of these regimes, the simulations bring to the light that the mass flow rate Q
obeys a simple scaling law with the mass hold-up and the gap width: Q~M3/4W1/4.

References

Brodu et al., 2015, Journal of Fluid Mechanics, 2015, 769, 218-228

165
 165: DEM and PLASTICITY Modeling of the stress-strain behavior of granular materials in
the strain hardening and softening regimes
Marte Gutierrez1, Abdalsalam Muftah2
1
Colorado School of Mines, Golden, CO 80401, USA
2
University of Sirte, Sirte, Libya
Keywords
DEM, stress-strain, rolling resistance, bifurcation, strain localization, strain softening,
plasticity
Abstract
A combined DEM and plasticity modeling of the stress-strain behavior of granular
materials in the strain hardening and strain softening regimes is presented. The
macroscopic plasticity model is based on micro-mechanical observations obtained from
particulate simulations of the response of granular materials during biaxial loading using
the Discrete Element Method (DEM). The DEM modeling was carried out using the Particle
Flow Code (PFC), and homogenization techniques were used to convert discrete micro-
mechanical quantities to continuum macro-mechanical parameters. In agreement with
observations from laboratory testing, DEM modeling showed that deformation of granular
materials is initially homogeneous followed by bifurcation causing the formation of one or
two narrow shear bands where the deformations are localized. As a result of localized
deformation, the load-carrying capacity of the granular assembly reduces with increasing
strain and strain softening ensues. Following localization, the DEM modeling focused on
the response of the granular material within the shear band, and these observations were
then used to establish a continuum model of the post-failure behavior of the granular
materials. A non-associated plasticity model of was used for the homogeneous strain
hardening regime, and the onset of strain localization is predicted using bifurcation
theory. Post-localization response was based on the model smeared discontinuity, where
it is assumed that elastoplastic deformation comes from the localized deformation of the
material in the shear band while the material outside the shear band deforms elastically.
Based on the DEM results, the deformation inside the shear band was modeled following
simple shear condition. This localized deformation is then averaged over a sampling
volume of the material. The thickness, orientation, and degree of principal stress rotation
and non-coaxiality within the shear band, which are all needed to establish the simple
shear stress-strain behavior of the shear band, were also all obtained from DEM results.
The complete continuum plasticity model was shown to be capable of replicating the DEM
results on the full spectrum of the stress-strain behavior of granular materials from strain
hardening to failure and strain softening. Use of the model in simulating the response of
RF-Hostun sand under bi-axial plane strain loading showed that the model can realistically
reproduce real granular material behavior. One of the main findings from both micro and
macro-mechanical modeling is the importance of shear band thickness in relation to the
sampling volume in determining the magnitude of strain softening.

166
 166: A multiple-relaxation-time LBM for modeling a free-surface flow containing floating
ices
Liu-Chao Qiu, Xiao-jiao Liu, Yu Han
College of Water Resources & Civil Engineering, China Agricultural University, Beijing,
China
Keywords
Ice jams; river ice dynamics; multiple-relaxation-time LBM; free-surface flow
Abstract
Floating ice blocks can cause extreme flooding, damage to structures, interference with
navigation, and restrictions on hydropower operations. In this work, a mesoscale method
is applied to simulate free-surface flows containing floating ice. The multiple-relaxation-
time Lattice-Boltzmann model (LBM) is used to solve fluid dynamics problems due to its
overall computational efficiency and its capability to deal with complex geometries and
topologies. Validation test cases are presented and the results show promise to serve as a
useful tool for river ice dynamics.

167
 167: Discrete element model for a general constitutive behaviour
Mahendaran uchimali, Balkrishna C Rao, Srikanth Vedantam
Indian institute of technology madras, Chennai, India
Keywords Discrete element Model, Multi-body interactions, Brittle fracture
Abstract Current numerical models to predict the mechanical behaviour of materials can be classified into
two approaches namely continuum models and discrete element models (DEM). While continuum models
have been studied in great detail, incorporating the effect of microstructural features such as grains
texture, cracks and other defects proves difficult. DEM is gaining importance because they are simple,
easy to set up and allow the description of microstructural features at various length scales. DEM describe
the material in terms of lumped masses interacting through constitutively prescribed forces. These
interaction forces between the lumped masses do not arise from physical arguments as in molecular
dynamics. Most commonly, the interactions have been taken to occur through linear springs connecting
pairs of particles [1]. Such pairwise interactions are known to describe a very limited range of constitutive
behaviour [2] and impose non-physical conditions on the elastic moduli [3]. There are no systematic
means of a generalization of interparticle interactions in DEM to various constitutive behaviour observed
in materials.

Crack path in Isotropic specimen Crack path in an orthotropic specimen

In this work, we propose an alternative approach which allows for multi-body interactions and description
of more general constitutive behaviour. In our approach, the domain is discretized into lumped masses
and the interaction forces are derived from the continuum strain energy density (φ) function. This novel
interaction force allows DEM to be generalised to describe any general constitutive behaviour, provided
we choose an appropriate strain energy density function. We illustrate the applicability of the model to
anisotropic elastic materials and their brittle fracture behaviour. Simulations of compact tension
specimens with isotropic and orthotropic constitutive properties are presented. A simple failure criterion
based on strain energy is used i.e., interaction force is set to zero when the strain energy density (φ)
reaches the critical value (φc). The model indicates that the crack path (see figures) in the isotropic plate
remains straight whereas it curves due to anisotropy.
[1] J. E. Bolander, N. Sukumar, Irregular lattice model for quasistatic crack propagation, Physical Review B -
Condensed Matter and Materials Physics71 (9) (2005) 1–12. doi:10.1103/PhysRevB.71.094106.
[2] G. Wang, A. Al-Ostaz, a. H. D. Cheng, P. R. Mantena, Hybrid lattice particle modelling: Theoretical
considerations for a 2D elastic spring network for dynamic fracture simulations, Computational Materials
Science 44 (4) (2009) 1126–1134. doi:10.1016/j.commatsci.2008.07.032.
[3] T. Omori, T. Ishikawa, D. Barth`es-Biesel, A. V. Salsac, J. Walter, Y. Imai, T. Yamaguchi, Comparison between
spring network models and continuum constitutive laws: Application to the large deformation of a capsule
in shear flow, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 83 (4) (2011) 1–11.
doi:10.1103/PhysRevE.83.041918.

168
 169: Fluid grain coupling for microstructural modeling of internal erosion in granular
materials
Antoine Wautier1, Stéphane Bonelli1, François Nicot2
1
Aix Marseille Université, Irstea UR RECOVER, Aix-en-Provence, France
2
Université France. Grenoble Alpes, Irstea, UR ETGR, Grenoble, France
Keywords
Micromechanics, DEM, fluid/grain coupling, suffusion
Abstract

Suffusion is the most complex internal erosion mechanisms occurring in granular

materials subjected to internal fluid flows. By use of a Discrete Element Method (DEM)
coupled with a Pore-scale Finite Volume (PFV) scheme, this study investigates the
consequences of an internal fluid flow on granular materials at the scale of representative
elementary volumes. A particular attention is given to the occurrence of grain transport
for different stress states and for different flow intensities and directions. For dense
widely graded granular samples, it is shown that grain transport is increased when the
macroscopic flow direction is aligned with the major direction of compression. This
observation is then interpreted in terms of micromechanics thanks to the definition of
pore networks and force chains. The stress induced microstructure modifications are
shown indeed to influence the transport distances by controlling the number of rattlers in
granular materials.

169
 170: Transient granular rheology
François Guillard1, Donovan Rynne1, Itai Einav1,2
1
The University of Sydney, Sydney, Australia
2
University College, London, United Kingdom
Keywords
Granular media, granular rheology, rate-and-state, Discrete Element Modelling
Abstract
Geological flows often exhibit sudden motion events separated by long periods of
extremely slow displacement. For example, the slow deformation of a fault can lead to
earthquakes, the creeping motion of soil eventually triggers landslides, and ice-shelves
also exhibit similar intermittent behaviours during their evolution. These phenomena are
reminiscent of stick-slip effects which can be observed in situations where elasticity and
friction are together at play. Such effects may be described using rate-and-states models,
which assume that the medium can is characterised by an additional state variable whose
evolution over time modifies the effective friction, and consequently the dynamic
response, in the material.

However, at higher deformation rate, granular materials such as the one composing
geological flows are typically described by a μ(I) rheological model, base on a bulk friction
coefficient monotonically increasing with strain-rate at steady state, without any concept
of internal state variable. Such rheological law may have difficulty predicting any stick-slip
phenomena. More generally, the extension of the μ(I) model to very low shear-rates, non-
steady flows, and transient phenomena remain challenging.

Here we start tackling these issues by considering transient effects assuming a simplified
μ(I) rheological laws on a granular layer under simple shear whose applied shear rate
changes over time. We develop an analytical solution for this geometry and compare it
with the results of discrete element simulations, showing good agreement between the
predicted and measured timescales of the transient effects. The μ(I) relationship is then
extended to take into account the effects of transient phenomena on the system
boundary stresses, which allows recovering a rate-and-state-like model. This effectively
shows that rate-and-state models can actually be understood as emerging at the
macroscopic scale from a granular system with μ(I) rheology at the smaller scale. This
connection, therefore, improves the understanding of the physical basis and behaviour of
both rate-and-state and μ(I) models, and may give important insights into the relevance of
different constitutive laws for transient effects and instabilities in particulate materials.

170
 171: A comparative study on impact breakage of synthetic rock samples and bonded
particle DEM model
Temitope Oladele1, Lawrence Bbosa1, Dion Weatherley2
1
Centre for Minerals Research, University of Cape Town, Department of Chemical
Engineering, Private Bag 7701 Rondebosch , South Africa
2
Sustainable Minerals Institute, Julius Kruttschnitt Mineral Research Centre, The
University of Queensland, Brisbane, Australia
Keywords
Discrete element method, Synthetic rock sample, Rock fracture
Abstract
The Discrete element method (DEM) is a well-known numerical technique for simulating
flow and breakage of particles found in many fields of application including the crushing
and grinding (comminution) stage in mineral processing. In this field, it has proven to be a
useful tool to complement experiments and study the mechanics of particle load response
under conditions in which measurement is often impractical. During experimentation,
reproducibility is often a challenge due to the inherent heterogeneity of particles.
Synthetic rock samples such as 3D printed sandstone offer an opportunity to produce a
relatively homogeneous sample of desired shapes and consistent mechanical properties.

This work utilises DEM to study the effect of various particle shapes on their breakage
properties under impact loading. A spherical steel impactor falling under gravity is
simulated, akin to a short impact load cell (SILC). A comparison of results with SILC
experiments conducted using synthetic rock samples under similar conditions, are found
to be in good agreement. After appropriate calibration of micro-mechanical properties,
the size-dependency of fracture force observed in laboratory experiments can be precisely
predicted from DEM simulations. This study demonstrates that DEM bonded particles are
a useful analogue for real world impact breakage experiments, providing complementary
insights on the dynamics of rock fracture under such loading conditions.

171
 172: Optimization of secondary air inlet for circulating fluidized bed gasifier
Qiuya Tu, Haigang Wang
Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing, China
Keywords
Circulating fluidized bed gasifier, secondary air inlet, CPFD, optimization
Abstract

Circulating fluidized bed (CFB) gasifier is a gas-solid fluidization and reaction integrated
system which can realize the bed material distribution, reaction, separation, and return
back in one unit. Factors, like furnace geometry, gas-solid flow characteristics and
uniformity, and reasonable organization of gasification reaction and flow, are the key
issues of augmenting reaction, improving carbon conversion rate, and enhancing system
energy efficiency. The CFBs gasification technology designed by Institute of Engineering
Thermophysics, Chinese Academy of Sciences, has been widely applied in industry. The
furnace of the unit is a cylinder with constant diameter, has only one primary air inlet at
the bottom. This caused the non-uniform particle distribution - dense particle
concentration in the bottom, dilute at the top, which reduces the gas-solid contact area,
mixing, and prohibits the reaction rate. According to the CFB design, the secondary air
injection can improve the bottom particle mixing and reduce the particle concentration.
Therefore, it is a good option to introduce the secondary air inlet in the CFB gasifier
system and optimize it.

In this study, a full loop three-dimensional CFB gasifier was simulated with five layers of
secondary air inlets, which are located at H=0.7 m, 1.4 m, 2.1 m, 3.6 m, and 4.6 m above
the bottom. At each layer, four inlets are evenly distributed around the periphery (shown
in Fig. 1). The simulation was performed in the platform Barracuda. In each simulation,
one layer of secondary air inlets is open while the other layers are close. The results shows
that when the secondary air inlets are arranged above the particle return inlet, they have
little effect on the particle distribution improvement, but when the secondary air inlets
are arranged below the particle return inlet, they can help to improve the particle
uniformity, and the lower the inlets are, the more uniform the particle is.

172
 173: DEM simulation about the effect of the sleeper shape on the Ballast Migration
Akiko Kono
Railway Technical Research Institute, Tokyo, Japan
Keywords Ballasted layer, Ballasted migration, Sleeper shape, Discrete Element Method
Abstract RTRI have begun numerical study by using Discrete Element Method (hereinafter “DEM”)
since 2006. The authors carried out DEM simulations about the differential settlement of ballasted
layers around rail joints, abrasion tests of ballast grains, the efficiency of ballast tamping and so on.
The ballast migration around high cant track is common problem of high speed rail. So the authors
carried out a series of DEM simulations focusing on the effect of sleeper shapes.
Figure.1-a) shows featured cross section of the common sleeper in Japan, called type 3H. The cross
section is the kind of hexagonal shape, which has the top half as a trapezium with moderate slope
and the bottom half as a trapezium with steep slope. At the same time, DEM simulations were
carried out for other types of sleepers with cross section of simple trapezium as shown in
Figure.1b).
Figure.2 shows the cross section of high cant track. The sleeper dances with 32Hz of frequency. The
amplitude of the outer edge of the sleeper is 4mm and that of the inner edge is 1mm.
Figure.3 shows the 3D-DEM model of track with 200m cant. Two faces in the figure are the cross
sections to observe the ballast grains motion. One is the cross section around the outer edge of
sleeper, the other is the cross section around outer rail position.
Figure.4 shows the distributions of ballast motion at the sleeper case of type 3H. We can find ballast
grains which move over 150mm mainly on the surface of the top slope of the sleeper at both cross
sections, around the outer edge of sleeper and around outer rail.
Figure.5 shows the distributions of ballast motion at the sleeper case of simple trapezium. The
figure shows that there is less ballast motion between sleepers compared with the case of type 3H.
We can conclude that sleeper shapes, especially the degree of side surface slope, effect on the
ballast migration. It means that ballast migration can be reduced by changing the shape of sleeper.

173
 174: Discrete element modelling of elastic wave propagation through granular materials
for laboratory shear plate tests
Masahide Otsubo1, Troyee Tanu Dutta1, Yuichiro Kawaguchi1, Reiko Kuwano1, Catherine
O'Sullivan2
1
Institute of Industrial Science, The University of Tokyo, Tokyo, Japan
2
Imperial College London, London, United Kingdom
Keywords
DEM, Wave propagation, Soil mechanics, Laboratory tests
Abstract
Measurement of elastic wave signals of granular materials is important to evaluate
stiffness parameters including the small-strain stiffness. Granular soils consist of many soil
grains and the overall response can be described as a result of interactions between
particles in contacts, which can be modelled effectively using the discrete element
method (DEM). In soil mechanics research, elastic wave signals are measured using
bender elements or shear plates, both composed of piezo-electric elements. Despite the
growing demand for accurate measurement of elastic wave signals both in the laboratory
and in-situ, there is a lack of understanding on the link between macroscopic results and
the particle-scale mechanics. DEM data can provide fundamental insight.

The aim of this contribution is to discuss how well DEM simulations can capture the
responses observed in soil mechanics laboratory geophysics tests considering piezo-
electric shear plates. The sensitivity of the dynamic wave signal to the shear plate size is
assessed to inform the design of the shear plate configuration. Secondly, the effect of
particle shape on stiffness anisotropy is discussed considering both isotropic and k0 stress
states. Thirdly, the effect of including finer particles on the dynamic wave signals is
investigated.

The DEM simulations in this contribution were performed using a modified version of the
granular LAMMPS software where equivalent conditions with laboratory experiments
using shear plates were considered. A simplified Hertz-Mindlin contact model was
adopted. To assess the effect of particle shape on the stiffness anisotropy, spherical
particles were rigidly clumped, and the simulation results were compared with laboratory
geophysics tests using natural sands.

174
 175: DEM numerical studies on the efficiency of the continuous operating tribo-electric
separator
Rahul Soni, R Dwari
CSIR-Institute of Minerals & Materials Technology, Bhubaneswar, India
Keywords
Tribo-electric separation, discrete element method, numerical simulations, coal
Abstract
Tribo-electric separation have gained importance as a dry separator for mineral and coal
beneficiation. The different grade component of coal powder can be beneficiated,
classified and segregated with the help of tribo-electric separator for the use in varying
purposes. A batch-mode tribo-electric separator was being used in CSIR-Institute of
Minerals & Materials Technology for separating pure coal particles from gangue quartz
and kaolinite particles. The separator need to be paused after operation for certain time
to clean the particles stuck on the electrode plates. Need of installing two belts covering
each electrode was realized. The belts designed in such a way that it bring downs the
particles that were about to stick to the electrodes plates, and later cleaned by scrappers
to get collected in collection bins. The modification allows the separator to operate in
continuous mode. The feasibility of installing these belts along with the optimum design
and operating conditions were studies with the help of DEM simulations. The bi-modal
frequency distribution of coal and quartz in collection bins was observed. The rationale
for the same is attributed to the fact that the initial angle and velocities of the particles
entering the electric field region were not same for all the particles. The non-uniform
probabilistic opportunities for the particles to attach with the respective belt resulted in
two groups of particles; (a) particles attached to belt followed by their collection in the
bins with the help of scrapper, (b) particles moving in a trajectory governed by external
forces and directly entering into the bin. The second group of particles which were
initially inclined in the direction opposite to which they were forced to move, followed a
trajectory and collected in a bin which was unexpected to collect the particles. The
phenomena resulted in the bi-modal distribution giving another peak of particulate
collection.

175
 176: DEM simulations for pharmaceutical engineering
Mikio Sakai
The University of Tokyo, Tokyo, Japan
Keywords
signed distance function; coarse graining dem; liquid bridge force
Abstract

Recently discrete element method (DEM) is often employed in simulations for various
powder processes. There are lots of powder processes in pharmaceutical engineering, for
example, fluidization, mixing, kneading, milling and die-filling. In the calculations for these
processes, not only modeling regarding arbitrary shape wall boundary, liquid bridge force
and solid-fluid interaction but also efficient calculation technique is required in the DEM
simulations. In order to apply the DEM to the pharmaceutical systems, innovatively
original models are developed in my group. Signed distance functions (SDF) [1] makes it
possible to create arbitrary shape wall boundary efficiently by a simple algorithm. Toroidal
approximation based liquid bridge model [2] can give flexible setting in liquid volume and
contact angle. Coarse graining DEM [3] can reduce number of calculated particles
drastically because of the scaling law, and hence large-scale DEM simulations can be
performed efficiently on a single PC. Through verification and/or validation tests, these
models has been shown to be useful in pharmaceutical systems such as a fluidized bed,
granulation in a twin screw kneader and powder die-filling. Hence, the original models are
shown to be indispensable for DEM simulations in pharmaceutical engineering.

References

[1] Y. Shigeto and M. Sakai, Chem. Eng. J. 231, 464 (2013).

[2] X. Sun and M. Sakai, Chem. Eng. Sci. 182, (2018).

[3] M. Sakai and S. Koshizuka, Chem. Eng. Sci. 64, 533 (2009).

176
 177: Tillage effect on soil structure - predicting fragmentation properties
Luís Alfiredo Pires Barbosa, Daniel Albiero
University of Campinas, School of Agricultural Engineering, Campinas, Brazil
Keywords
Particle breakage, Soil fragmentation, Discrete element, Aggregates
Abstract
Soil fragmentation is crucial for crop establishment, since the size reduction of larger aggregates
improves the conditions to germination and emergence of seedlings. But it may jeopardizes soil
environmental functions (e.g., carbon storage). Thus, cultivation activities must be optimized so that
they promote only the necessary soil fragmentation. Although we have a good idea of adequate
aggregate size distributions, our knowledge to design and obtain a desired soil fragmentation by
tillage is still incomplete. Part of this is due to the limitation of current numerical models in
predicting dynamic changes in soil structure, limiting the development of tillage tools. Therefore we
focused on developing a discrete element model of a soil composed by aggregates with different
sizes. Then we implemented a Python function to measure the variation of aggregate size
distribution and to quantify the number and location of aggregate ruptures along the soil profile
during tillage. From the first we calculated fractal fragmentation, and from the second we quantified
the number and positions of cohesive breaks along soil width and depth. A soil bin with 0.70 m
depth, 1.2 m width and 1 m length was modelled with three soil layers of 0.25 m depth each. The
upper layer was composed by aggregates with diameter of 0.055 m, the intermediate layer with
aggregates of 0.06 m and the bottom layer with aggregate diameters of 0.065 m. The aggregate
density and particle bond strength were calibrated to reproduce the same aggregate tensile
strength of a reference soil. Two tillage tools were used to promote soil fragmentation: a
conventional furrow opener (CFO) used in sugar cane planting and a rotary hoe combined to a
furrow opener (RCFO) also for sugar cane planting, but designed to reduce the area of soil
disturbance. The horizontal displacement rate of CFO was set to 2 m/s and the rotation of RCFO was
set to 135 rpm with horizontal displacement rate of 2 m/s. Results accounting for particle size
distribution within the entire soil bin showed that tillage with CFO increased the fractal
fragmentation from 0.51 in the initial soil condition to 0.99. RCFO also increased fractal
fragmentation from a initial value of 0.42 to 0.94 after tillage. However, the disturbed area
promoted by RCFO was half the disturbed area promoted by CFO. Within the width -0.1 and 0.1 m
around the tool centre, CFO promoted 44% of the total cohesive breaks while RCFO promoted 69%.
The smaller number of breaks promoted by RCFO out of the disturbance area suggests greater
assertiveness in promoting aggregate rupture at desired locations. Along soil depth, the number of
breaks promoted by CFO was approximately constant from soil level up to the tip of the subsoiler at
0.65 m. However, RCFO presented two distinguished break distribution, one referent to rotary hoe,
from soil surface to 0.5 m, and other referent to subsoiler tip at 0.6 m. In both, the number of
breaks were smaller then those promoted by CFO. Thus, the model and the implemented function
quantified in detail the effects of each tool on the soil structure. As future development it is
necessary to calibrate and validate the fragmentation parameters with empirical data.

177
 178: DEM simulations and continuum modeling of size-segregation in bedload sediment
transport.
Rémi Chassagne1, Raphaël Maurin2, Julien Chauchat3, JMNT Gray4, Philippe Frey1
1
IRSTEA, Univ. Grenoble Alpes, UR ETNA, Grenoble, France
2
IMFT, Univ. Toulouse, CNRS, Toulouse, France
3
LEGI, Univ. Grenoble Alpes, CNRS UMR 5519, Grenoble, France
4
School of Mathematics, University of Manchester, Manchester, United Kingdom
Keywords
size-segregation, bedload, DEM simulations, continuum modeling, inertial number
Abstract
Bedload sediment transport corresponds to the fluid-induced transport of sediment
particles by rolling, sliding and/or saltating in the near bed region. It has major
consequences for public safety, water resources and environmental sustainability. In
mountain streams, steep slopes drive intense transport of a wide range of grain sizes
implying grain size sorting or segregation, which makes prediction of sediment fluxes
much more complicated than in mono-disperse systems.

In this work, insights on vertical size-segregation are obtained by studying the infiltration
of fine particles into a bed formed of large spherical particles. Numerical experiments of
two-size particle mixture have been performed using a coupled Eulerian-Lagrangian fluid-
discrete element model developed at Irstea (Maurin et al. 2015, 2016). It is composed of a
3D discrete element model (based on the open source code YADE), describing each
individual particle, coupled with a one dimensional Reynolds Averaged Navier Stokes
model (Chauchat 2018). A 3D domain inclined at 10% slope (angle of 5.71°) consisting of
an initial number of layers of 4 mm spherical particles deposited on top of a 6 mm particle
bed, was submitted to a turbulent shear boundary layer flow. After a transient phase the
hydrodynamic model reaches a steady state.

From the DEM simulations, the inertial number has been identified as the driving
mechanism for segregation. In addition, the small particles have been observed to
infiltrate as a layer of constant thickness which indicates that the bottom of the layer is a
key position concerning the dynamics of segregation.

The problem has then been studied in the framework of a continuum model with the
advection-diffusion model for segregation of Thornton et al. (2006). Based on the DEM
simulations, a new form of the segregation flux is proposed giving remarkably good results
when comparing both approaches. An analytical study of the segregation model with
diffusion allowed us to demonstrate that the diffusion coefficient should have the same
dependence to the inertial number than the segregation flux to predict the dynamics
observed with the DEM simulations.

178
179: Fluid-particle interaction in granular material using coupled 3D LBM-DEM
Wen-Jie Xu, Xue-Yang Dong, Wen-Tao Ding
State Key Laboratory of Hydroscience and Hydraulic Engineering, Department of Hydraulic
Engineering, Tsinghua University, Beijing, China
Keywords
Granular material, LBM, DEM, Fluid-particle interaction, LBM-DEM
Abstract
Fluid-solid particle coupling is a common phenomenon in natural and engineering
problems. The combined numerical algorithm based on lattice Boltzmann method (LBM)
and discrete element method (DEM) is used to simulate this process. The LBM-DEM
coupling routines are presented, and a coupling engine in three dimensions is developed
based on two open source computer codes: Palabos for the LBM and Yade for DEM. Two
sets of tests are performed. A classic example of single sphere settling in fluid under
gravity is used to validate the coupling engine, and the results agree well with the
laboratory tests by Ten Cate et al. [1].A ratio of 1/6 between the lattice size and the
diameter of the spherical particle is suggested to obtain acceptable accuracy and
computational cost. The second simulation shows the capability of the developed engine
for complex coupling problems, in which the piping erosion process of saturated granular
material is modeled and simulated, and some insights of the mesoscopic erosion
mechanism is obtained. According to the simulation and analysis of the whole process of
submerged granular collapse, it is suggested that the process is divided into four stages:
start → rapidlycollapse→ decelerated sliding → standstill, and that the particle aggregate
is partitioned into four zones: flowing particles, sliding particles, shearing particles and still
particles. Both lay a foundation for getting insights into submerged granular disasters. The
results of this study illustrate the outstanding capabilities of the LBM-DEM coupling
method for mesoscopic mechanism exploration and engineering design improvement.

Reference:

[1] Ten Cate A, Nieuwstad C H, Derksen J J, et al. Particle imaging velocimetry experiments
and lattice-Boltzmann simulations on a single sphere settling under gravity. Physics of
Fluids, 2002, 14(11):4012-4025.

179
 180: Enhanced modelling capabilities of the discrete element method with deformable
particles
Jerzy Rojek, Nikhil Madan, Szymon Nosewicz
Institute of Fundamental Technological Research, Polish Academy of Sciences, Warsaw,
Poland
Keywords deformable particles, micro-macro relationships, Poisson’s ratio, elastic wave
propagation
Abstract An original concept of the discrete element method accounting for deformability
of cylindrical or spherical particles will be presented. The deformability of the particles in
the new method, called the deformable discrete element method (DDEM) is taken into
account in a simplified way which does not increase the computational cost of the DEM
too much.
It is assumed that the particle deformation is composed of the global and local
deformation modes. The global deformation mode is evaluated assuming a uniform strain
in the particle induced by the volume-averaged stress derived in terms of the contact
forces acting on the particle. The particle strains are obtained via the inverse constitutive
relationship from the averaged particle stress. The linear elastic material model is
assumed for the particle global deformation mode. The deformed shape (global
deformation) of the particle is obtained by an integration of the particle strain. The local
deformation modes are assumed at contact zones, and they are represented by the
overlaps of the globally deformed particles. The normal contact forces are determined as
functions of the overlaps.
It has been shown that the proposed method enhances the modelling capabilities of the
discrete element method. Deformability of particle yields a nonlocal contact model, it
leads to the formation of new contacts, it changes the distribution of contact forces in the
particle assembly and affects the macroscopic response of the particulate material, in
particular it allows to extend the range of the Poisson’s ratio which can be reproduced in
the DEM, which is important, for instance in problems of wave propagation.
The performance of the DDEM will be demonstrated by simulations of the uniaxial
compression of a cohesive material modelled with bonded particles. These simulations
have been used to determine the relationships between the macroscopic effective elastic
moduli and microscopic parameters of the new DEM. The DDEM model will be used to
simulate elastic wave propagation. It will be shown that the new method allows us to
reproduce better the ratio of compressional to shear wave speed.
Acknowledgement:
This work has been financed from the funds of Polish National Science Centre (NCN)
awarded by the decision number DEC-2015/19/B/ST8/03983.

180
 181: Micromechanical assessment of the installation and formation of Continuous Helical
Displacement piles in sand
Yaseen Sharif1, Michael Brown1, Matteo Ciantia1, Jonathan Knappett1, Jonathan Ball2
1
University of Dundee, Dundee, United Kingdom
2
Rodger Bullivant Ltd, Burton Upon Trent, United Kingdom
Keywords
Continuous Helical Displacement piles
Abstract

Continuous Helical Displacement (CHD) piles are a form of low displacement cast insitu
pile developed in the UK by Rodger Bullivant Ltd, which uses a bullet shaped auger head
rotated in to the soil to a desired depth, before concrete is pumped in under pressure as
the tool is reversed out producing a helical shaped concrete displacement pile. Due to the
nature in which they are installed, the CHD piles show behaviour akin to both
displacement and non-displacement piles. CHD piles have been shown to perform
relatively well in terms of its load settlement behaviour, which is assumed to be attributed
to the soil displacement around the tool during installation. It is still unknown how exactly
this installation method affects the soil surrounding the final pile formation. Using the 3D
discrete element method (DEM), an approach to modelling the complete installation and
formation of the CHD pile on a soil sample has been developed. This allows the
micromechanical assessment of features undetectable through physical testing methods
alone. The local density changes and particle displacement that can be captured using
DEM show how the installation of the CHD bullet causes soil disturbance through cavity
expansion and contraction, and further expansion when the CHD bullet is extracted, and
the pile is cast in its place.

181
 182: Numerical simulation on the dynamic penetration of a light-weight gravity installed
anchor in clay
Jun Liu, Nanqiao Bu
Dalian University of Technology, Dalian, China
Keywords
plate anchor; booster; offshore engineering; dynamic penetration; numerical simulation
Abstract
A light-weight gravity installed plate anchor (L-GIPLA) is proposed and designed to fulfil
the requirement for the deep water oil/gas and offshore wind power development. The
newly developed L-GIPLAs are comprised of two triangular or peltate flukes to bear uplift
resistance and two trapezoidal shanks. The padeye, which is used to connect the mooring
line, is located at the tip of the shank. The anchor is designed with the ability of high
capacity-to-weight ratio and diving property during keying. The dynamic installation of the
anchor is achieved with the aid of a booster, which is connected at the anchor tail to
increase the anchor kinetic and gravitational energy during installation. After installation,
the booster can be retrieved and reused for the next anchor installation. Numerical
analyses based on the computational fluid dynamics (CFD) approach were carried
out to examine the penetration depth of the L-GIPLA in the lightly over-consolidated (LOC)
clay. The effects of the anchor shape, impact velocity, strain-rate parameter and interface
friction on the anchor penetration depth were investigated. Finally, an energy-based
empirical equation was put forward for the sake of quickly estimation of the anchor
penetration depth.

182
 183: Numerical simulation on dynamic penetration of a light-weight gravity installed
anchor in sand
Ping Yi, Yuming Tong, Jun Liu
Dalian University of Technology, Dalian, China
Keywords
plate anchor; booster; offshore engineering; dynamic penetration; numerical simulation
Abstract
To examine the dynamic penetration depth of an innovative light-weight gravity installed
plate anchor (L-GIPLA) in sand, this study carried out numerical analyses based on the
Coupled Eulerian Lagrangian (CEL) approach. L-GIPLA is proposed and designed to fulfil
the requirement for the deep water oil/gas and offshore wind power development. The
newly developed L-GIPLA is comprised of two triangular/peltate flukes to bear uplift
resistance and two trapezoidal shanks. The padeye, which is used to connect the mooring
line, is located at the tip of the shank. The anchor is designed with the ability of high
capacity-to-weight ratio and diving property during keying. The dynamic installation of the
anchor is achieved with the aid of a booster, which is connected at the anchor tail to
increase the anchor kinetic and gravitational energy during installation. After installation,
the booster can be retrieved and reused for the next anchor installation. The effects of
the sand density, impact velocity, interface friction and the anchor shape on the anchor
penetration depth were investigated. Finally, an energy-based empirical equation was put
forward for the sake of quickly estimation of the anchor penetration depth. The numerical
results indicated that the newly developed L-GIPLA provides a promising alternative for
the offshore anchoring systems.

183
 184: Analysing Earth Pressure Build-Up Behind Integral Bridge Abutments Using DEM
Tara Sassel, Catherine O'Sullivan
Imperial College London, London, United Kingdom
Keywords
Integal Bridge, Earth Pressure, DEM
Abstract
Integral bridges do not have joints and bearings. In conventional bridges there is damage
of the joints due to de-icing salts and accumulation of debris between the joints. This
means a significant amount of maintenance has to be carried out on those bridges. In
integral bridges the abutment is rigidly connected to the deck. As the deck expands and
contracts with temperature changes, the abutment is subjected to a cyclic movement.
This movement leads to settlement of the backfill soil adjacent to the abutment and build-
up of earth pressure. Currently there is no guidance in the Eurocodes on the earth
pressure build up and the developing settlement throughs behind integral bridges. There
are two UK guides on integral bridges which include expressions for the earth pressure
applied to the bridge abutments for use in engineering design

Some insight into soil behaviour has been obtained using physical centrifuge models and
settlement tests. This study aims to further advance understanding using discrete element
method (DEM) simulations.
A DEM model was created using PFC2D. It is based on the centrifuge tests that were
carried out by Lehane (2011). 300,000 non-contacting particles were generated inside a
box. A particle size distribution (PSD) similar to Dunkirk sand was used. The particles were
subjected to a scaled gravitational load, as in a centrifuge test and allowed to come into
an equilibrium state. Subsequently, they were subjected to the cyclic movement of the
abutment. In order to simulate the cyclic movement, one of the boxes walls was hinged
and moved at a specified strain rate.
The settlement trough observed from the DEM simulations is in line with experimental
observations. This study shows how DEM can be used to critically assess the stress paths
used in laboratory experiments to study soil behaviour adjacent to integral bridges.

184
 185: Microstructure and internal stresses of assemblies of crushable grains under
compaction
David Cantor1,2, Emilien Azéma1, Philippe Sornay2, Farhang Radjai1
1Université
de Montpellier, Montpellier, France
2CEA, DEN, DEC, SA3E, LCU, Saint Paul lez Durance, France
Keywords bonded cell method, brittle, fragmentation, Voronoï tessellation, microstruture
Abstract By means of the Contact Dynamics method, we simulate and analyze the microstructural
process taking place during the compaction of crushable granular materials. This numerical study is
performed using the approach known as Bonded Cell Method (BCM) [1,2], in which grains are
considered as assemblies of polyhedral cells held together by an adhesive contact law. The loss of
adhesive interactions is assumed to be irreversible and the cell-cell interfaces (fissures) are
considered purely frictional. Different packings of crushable grains were built and subjected to
uniaxial compression with different values of inter-cell strength (see Fig. 1). These tests allowed us
to measure the fragments size and shape evolution as function of the vertical strain as well as to
estimate the mean stresses perceived by each particle in the assembly. In particular, our
observations revealed that (1) grain crushing produces a well-defined power-law distribution of
fragments sizes, (2) the aspect ratio of fragments tends to a self-similar distribution (the silver ratio),
and (3) fragmentation produces a generalized homogenization of stresses inside the particles
restraining further crushing and deformation.

(a) (b)

Figure 1. Snapshots of a sample under uniaxial compression at (a) the beginning of the test (intact
configuration) and (b) after being applied an axial strain of 15%.
[1] Nguyen, D.-H. et al. Bonded-cell model for particle fracture. Physical Review E, 91(2):22203,
2015.
[2] Cantor, D. et al. Three-dimensional bonded-cell model for grain fragmentation. Computational
Particle Mechanics, 4(4):.441–450, 2017.

185
 186: Heat Transfer in Vibrated Granular Beds
Eldin Wee Chuan Lim
National University of Singapore, Singapore, Singapore
Keywords
Heat transfer, Vibrated granular beds
Abstract

The vibrated granular bed is an example of a highly non-linear, dynamical system which
exhibits pattern formation and represents a good scientific model for understanding
granular systems in general. Although various aspects of vibrated granular bed systems,
such as mixing behaviors and pattern formation, have been investigated extensively both
experimentally and computationally, it appears that studies of heat transfer and the
potential of such granular systems to be operated as dryers have been limited to date. In
this study, the Discrete Element Method (DEM) was coupled with a particle-particle heat
conduction model for computational studies of heat transfer in vibrated granular bed
systems. Depending on the vibration conditions applied, a hexagonal, stripes or cellular
pattern was observed in the vibrated granular bed and the efficacy with which heat could
be transferred from the vibrating base to the granular materials in the presence of
different patterns was investigated. A parametric analysis was conducted to evaluate the
effect of material properties such as thermal conductivity of the granular materials on
heat transfer behaviors. Enduring particle-particle contacts were important for efficient
heat transfer via particle-particle conduction throughout the bed of granular materials. On
the other hand, vigorous vibrations of the base that imparted pseudo-thermal energy to
the granular materials and led to good mixing of the bed facilitated heat transfer via
particle convection. The simulation results were analyzed for possible relations between
temperature distributions and granular temperature distributions.

186
187: Wear Mechanism of Coal-rock Transporting Equipment in Fully Mechanized Coal Face
Based on the DEM-MBD
Xuewen Wang, Bo Li, Jiacheng Xie, Rui Xia
Taiyuan University of Technology, Taiyuan, China
Keywords
DEM-MBD, scraper conveyor, wear mechanism
Abstract
Scraper conveyor is the key transporting equipment in fully mechanized mining face. It
undertakes the important task of transporting coal and rock. The wear problem caused by
long-term transportation has become its main failure form. It is difficult to carry out
underground test of scraper conveyor as the bad working conditions, difficulties of data
acquisition and high risk. With the help of simulation, the research ideas for wear analysis
of the scraper conveyor are provided. In this study, the transport process of scraper
conveyor was simulated and analyzed by the combination of discrete element method
and multi-body dynamic analysis method. The wear mechanism of scraper conveyor
during transportation was revealed by studying the factors influencing wear, the
distribution of wear area and tracking the change of coal particle positions when wear
occurred. It is found that by coupling the discrete element method with the multi-body
dynamics, the particle motion can be combined with the motion and force transfer of the
equipment, which can reflect the wear of scraper conveyor more truly and provide a
theoretical basis for its wear prediction.

187
 188: Particle shape influence in turbulent bedload transport
Remi Monthillet, Raphael Maurin
IMFT, Univ Toulouse, CNRS, Toulouse, France
Keywords
particle shape, bedload, sediment transport
Abstract
Considering a granular bed sheared by a turbulent fluid flow, bedload transport is defined
as the particles transported in the vincinity of the bed, and for which the turbulent fluid
coherent structures have a limited effect. Despite a century of applied research on the
subject, bedload transport is still very poorly predicted in engineering applications. This
limitation has led to fundamental work on the subject, considering idealized
configurations in particular using spherical particles. In order to attempt to bridge the gap
between fundamental and applied research, we study the influence of the particle shape
in turbulent bedload transport. Using a fluid-discrete element model, we perform
numerical simulations varying repeatedly the shape of particles made of spheres
assembled together. This allows us to study the effect of the particle entanglement on the
transport, and the interplay between the modification of the granular behavior and the
fluid coupling.

188
 191: Modelling of Granular Flow on Micro- and Macroscopic Scales with Calibration Using
Experimental and Numerical Setups
Robert Hesse1, Fabian Krull1, Dominik Gilberg2, Konrad Steiner2, Sergiy Antonyuk1
1Institute of Particle Process Engineering, Technische Universität Kaiserslautern, Kaiserslautern, Germany
2Fraunhofer ITWM, Kaiserslautern, Germany

Keywords DEM, macroscopic modeling, calibration, flow properties, silo discharge, powders, granules

Abstract

1. Introduction Granular flow often shows complex correlations, whereby small differences in the granular composition
can lead to significant different flow behavior. Therefore, obtaining valid parameters by calibration for each granular
system is inevitable if high accuracy is necessary. In this contribution, calibration processes and their resulting precision
and range of validity are discussed, while using different numerical approaches: The Discrete Element Method (DEM)
and a macroscopic model based on Finite Volume discretization.
2. Methods Within the DEM framework, firstly introduced by [1], the motion of each particle is calculated based on
interactions with contact partners and other applied forces. Contact forces are calculated by contact models, which
consider material deformation and surface specific parameters like the Young’s modulus, particle friction coefficients
and surface energy [2–4]. The macroscopic model is based on [5], whereby granular flow can be modeled in two
regimes, namely dense and dilute systems. The spatial resolution is large in contrast to particle sizes. The calibration
includes parameters like bulk viscosity, bulk energy dissipation, granular thermal conductivity and packing fraction
relations [5, 6].
3. Contents of this contribution Firstly, the calibration of DEM parameters for a powder is described. This is achieved by
numerical and experimental shear, rolling, nanoindentation and free fall tests [7]. After the parameters are obtained,
DEM simulations are used to extract further information for the calibration of the macroscopic model. By extracting
velocity profiles and shear stresses for different normal stress levels from the DEM shear cell (Fig. 1), the macroscopic
model parameters are adjusted accordingly (Fig. 2). The obtained results are demonstrated with hopper discharge.

Figure 1. Exemplary DEM shear cell setup and particle Figure 2. Exemplary comparison of stress dependent
velocities with fully developed shear band. velocity profiles for DEM and the macroscopic model.
References
[1] P. A. Cundall and O. D. L. Strack, “A discrete numerical model for granular assemblies,” Géotechnique, vol. 29, no. 1, pp.
47–65, 1979.
[2] H. Hertz, “Über die Berührung fester elastischer Körper,” Journal für die reine und angewandte Mathematik, no. 92, pp.
156–171, 1881.
[3] R. D. Mindlin, H. Deresiewicz, “Elastic Spheres in Contact under Varying Oblique Force,” Journal of Applied Mechanics, no.
20, pp. 327–344, 1953.
[4] K. L. Johnson, K. Kendall, and A. D. Roberts, “Surface Energy and the Contact of Elastic Solids,” Proceedings of the Royal
Society A: Mathematical, Physical and Engineering Sciences, vol. 324, no. 1558, pp. 301–313, 1971.
[5] A. Latz and S. Schmidt, “Hydrodynamic modeling of dilute and dense granular flow,” Granular Matter, vol. 12, no. 4, pp.
387–397, 2010.
[6] D. Niedziela et al., “Virtual Characterization of Dense Granular Flow through a Vertically Rotating Feeding Experiment,”
Chem. Eng. Technol., vol. 40, no. 9, pp. 1599–1604, 2017.
[7] F. Krull, R. Hesse, P. Breuninger, and S. Antonyuk, “Impact behaviour of microparticles with microstructured surfaces:
Experimental study and DEM simulation,” Chemical Engineering Research and Design, vol. 135, pp. 175–184, 2018.

189
 192: Cross-Scale Validation and Evaluation of Wurster Coating Processes
Stefan Madlmeir1, Thomas Forgber1, Martina Trogrlic1, Adrian Kappe2, Pankaj Doshi3, Alan
Carmody3, Avik Sarkar3, Johannes G. Khinast1,4, Dalibor Jajcevic1
1
Research Center Pharmaceutical Engineering GmbH, Graz, Austria
2
Glatt. Integrated Process Solutions, Binzen, Germany
3
Worldwide Research and Development, Pfizer Inc., Groton, USA
4
Institute for Process and Particle Engineering, Graz University of Technology, Graz,
Austria
Keywords CFD-DEM, Wurster coater, Validation, Scale-up, Heat and mass transfer
Abstract The Wurster process is commonly used to modify the release rate or the taste of
granulated beads in the pharmaceutical industry. Hereby, beads are coated with one or
multiple functional films that control the release of drug substances or mask a specific
taste. The coating process takes place in the Wurster tube, in which the particles are
transported centrally upwards followed by a subsequent downwards movement outside
the tube. Thus, the particle flow resembles a torus-shaped recirculation pattern.
The inlet temperature of the fluidization air is adjusted such that the drying process of the
sprayed particle occurs at a sufficient rate and that the correct film forming temperature
is reached. The thermal effects are quite complex, and a thermal equilibrium inside the
Wurster coater is reached only some time after start-up. Several combinations of
operating conditions can lead to similar outcome in terms of this thermal equilibrium.
However, experimental investigations show large deviations in the performance of the
final product, i.e. the dissolution behavior of the API.
Due to the complexity of the process, recent numerical investigations were limited to
simplifications regarding geometry, batch size or spray modeling (see e.g. Askarishahi et
al. [1] and Pietsch et al. [2]).
In our work a fully integrated CFD-DEM environment is presented. The commercial code
XPS (eXtended Particle System) is used for the DEM simulation and is coupled to AVL-
FIRETM for the CFD simulation. State-of-the-art models for momentum, heat and mass
exchange between continuous and discrete phase are integrated in a fully coupled
manner. Most importantly, a direct comparison of two different scales (i.e. lab scale Glatt
GPCG-2 and production scale Glatt GPCG-30/60) Wurster coating processes is presented.
Large scale experiments are performed to validate the numerical investigated operating
points.
[1] M. Askarishahi, S. Mohammadsadegh, S. Radl. Full-Physics Simulations of Spray-
Particle Interaction in a Bubbling Fluidized Bed. AIChE Journal, 63(7), 2569-2587, 2017.
[2] S. Pietsch, S. Heinrich, K. Karpinski, M. Müller, M. Schönherr, F. Kleine Jäger. CFD-DEM
modeling of a three-dimensional prismatic spouted bed. Powder Technology, 316, 245-
255, 2017.

190
194: Comparing two Continuous Tablet Coating Process Scales Using CFD – DEM Simulation
Peter Böhling1, Wen Kai Hsiao1, Frederik Detobel2, James Holman2, Matthew Metzger3, Laura
Wareham3, Johannes G. Khinast1,4
1RCPE GmbH, Graz, Austria
2GEA Process Engineering NV, Wommelgem, Belgium
3Merck Sharp & Dohme Corp, Kenilworth, USA
4TU Graz, Graz, Austria

Keywords CFD-DEM, heat transfer, mass transfer, tablet coating

Abstract An important trend in the pharmaceutical industry is to move manufacturing
processes from traditional batch to continuous process operation. This may allow for
higher throughput rates, as well as more flexibility at the production site, a decrease of
waste across the product lifecycle, and an increase in quality and safety. Tablet coating is
often the last step in solid dosage form manufacturing before packaging. The reasons for
tablet coating range from simple color coating, to adding protective functionality
(environment, low pH of the stomach), to adding a second active pharmaceutical
ingredient, or taste-masking.
Due to the rising demand for continuous production, GEA Pharma developed a semi-
continuous tablet coater which can be incorporated into the ConsiGma 25 continuous
line[1]. This new tablet coater operates at high rotation rates (Fr~1) and allows for short
processing times, low changeover times and high throughput, while providing a good
coating quality. The ConsiGma tablet coater can be equipped with two different drum
sizes which are differentiated by the drum depth (160 and 320 mm). Both sizes are
considered in this work
Use of modern simulation technology can help to increase the understanding of the newly
developed tablet coating processes. CFD-DEM simulations [2] allow a detailed
investigation of the physical processes occurring during the coating process. CFD allows
users to model the fluid phase through the tablet bed/ coater geometry by tracking the
velocity fields, heat and mass transfer rates and phase change (evaporation). DEM allows
the tracking of the tablet movement inside the coater elucidating the tablet bed
formation and mixing. This has the potential to reduce the amount of experiments
needed to investigate potential failure modes without the risk of product loss. The goal is
to compare the influence of the wheel width size on the coating process and the heat and
mass transfer of the coater.
References:
[1] I. C. Kemp, L. Iler, M. Waldron, and N. Turnbull, “Modeling, experimental trials, and design
space determination for the GEA ConsiGmaTM coater,” Dry. Technol., vol. 0, no. 0, pp. 1–11, 2018.
[2] P. Böhling, J. G. Khinast, D. Jajcevic, C. Davies, A. Carmody, P. Doshi, M. T. Am Ende, and A.
Sarkar, “Computational Fluid Dynamics-Discrete Element Method Modeling of an Industrial-Scale
Wurster Coater,” J. Pharm. Sci., vol. 108, pp. 538–550, 2018.

191
 195: Micromechanics of transient liquefactions in granularmaterials
Antoine Wautier1, Stéphane Bonelli1, François Nicot2
1
IRSTEA, Aix-en-Provence, France. 2IRSTEA, Grenoble, France
Keywords
DEM, micromechanics, instability, inertial transition, second-order work
Abstract

One of the fascinating features of granular materials is their ability to behave either like a
solid or like a fluid depending on the loading conditions. This remarkable property results
in a class of failure known as diffuse failure (or static liquefaction) mode responsible for
dam failures, landslides or avalanches for instance. Because of the non-associated
character of granular plasticity, standard instability criteria based on the concept of plastic
limit surface fail to anticipate this type of failure and the loss of positiveness of the
second-order work has to be considered instead. By taking advantage of discrete element
modeling, this study investigates the micro-mechanisms responsible for transient
liquefactions in granular materials at the scale of a representative elementary volume
(REV) when the second-order work vanishes. It is shown that inertial transition results
from the propagation of an outburst of kinetic energy consequently to the weakening of
the contact network and to the deconfinement of force chains.

192
 196: Application of Discrete Element Method (DEM) simulations to support the
investigation of gamma alumina phase transformation induced by mechanical means
Domenico Daraio1, Jose Villoria2, Andrew Ingram1, Alessio Alexidis1, Hugh E. Stitt3, Michele Marigo3
1University of Birmingham, Birmingham, United Kingdom
2Johnson Matthey, Sonning Common, United Kingdom
3Johnson Matthey, Billingham, United Kingdom

Keywords DEM, simulations, high-energy ball milling, alumina phase transformation

Abstract The current work has applied the Discrete Element Method (DEM) simulations in combination with
experiments to study the effect of two different mills, an attritor and a planetary ball mill, on the transformation of γ
alumina into α alumina. Aluminium oxide , or alumina, is used for a variety of applications because of its beneficial
properties such as thermal and chemical stability, wear-resistance, good strength and electric and thermal insulation [1,
2, 3]. Alumina exists under several allotropic forms (k, γ, θ, δ, α) with α alumina being the thermodynamic stable phase.
This can be obtained by calcination of γ alumina at temperature over 1200°C[4]. γ alumina can be transformed in α
alumina either by thermal effects, raising the temperature, or by suppling mechanical energy at much lower
temperatures [5, 6, 7]. Several studies reported in the literature have used high energy ball mills to induce phase
transformation at room temperature but only some of them were successfully. From these researches it was highlighted
that the best conditions for the conversion from the γ form into the α form were by using conditions such as: a high
bead powder ratio, large grinding media and media with high hardness [5]. In the current work, the simulations
employed the open source DEM code LIGGGHTS (DCS computing, Linz, Austria) adopting the standard Hertz-Mindlin
contact model to solve normal and tangential contacts. The motion of the grinding media, in both an attritor and a
planetary ball mill, was modelled by DEM for a variety of conditions (speed, grinding media size). This allowed the study
of additional information on the collision frequency and the impact velocity of the grinding media that was not possible
measure from the experiments. The DEM particle information was then used for the calculation of both the average
stress energy and the average specific energy, which represent the maximum energy theoretically transferable by the
media to the alumina during milling. High speeds and large grinding media were selected for the milling experiments to
obtain high stress energy within the mill. The material was milled for 4hr with a ball to powder ratio equals to 10 and
then characterised for particle size measurements by laser diffraction, BET surface area by nitrogen absorption and X-
Ray diffraction measurements. DEM simulations revealed that the planetary ball mill achieved stress energy levels two
orders of magnitude higher than the attritor mill. This was in perfect agreement with the experiments that showed
transformation of the alumina from γ to α phase at room temperature only for the planetary ball mill, inferring that for
the latter case the stress energy was probably high enough to overcome an activation energy barrier. In fact, in the
planetary ball mill first signs of phase transformation were detected by XRD diffractograms already after 1hr of milling.
In contrast, in the attritor mill the XRD diffractograms did not show any phase transformation not even after 4hr milling.
The simulations pointed out that the media diameter is the most important parameter in order to maximise the energy
per impact. Further, they showed that achieving a high energy per impact is more important than having a high global
energy within the mill. Therefore, from these experimental results it can be hypothesised that an energetic barrier
exists, and a minimum energy should be transferred to the material before inducing the transformation. This
assumption was fully supported by the DEM modelling calculations of the stress energy done by simulations and it will
be covered in the conference presentation, highlighting the ability of modelling to provide useful insight in complex
processing systems.

References
[1] S. M. Naga, A. M. Hassan, H. F. El-Maghraby and M. Awaad, “Characterization of physico- mechanical properties of Alumina/YAG/Ceria
composites,” Ceramics International, vol. 45, no. 2, pp. 1634-1640, 2019.
[2] A. Ruys, “Processing, structure, and properties of alumina ceramics,” in Alumina Ceramics: Biomedical and Clinical Applications
examines, 2019, pp. 71-121.
[3] J. Lee, E. J. Jang and J. H. Kwak, “Effect of number and properties of specific sites on alumina surfaces for Pt-Al2O3 catalysts,” Applied
Catalysis A: General, vol. 569, no. 0926-860X, pp. 8-19, 2019.
[4] A. Terzić, L. Andrić and V. Mitić, “Assessment of intensive grinding effects on alumina as refractory compound: Acceleration of γ to α
phase transformation mechanism,” Ceramics International, vol. 40, no. 9, pp. 14851-14863, 2014.
[5] S. R. Chauruka, “Effect of Milling on Size Reduction and Microstructural,” The University of Leeds , 2015.
[6] M. L. Panchula and J. Y. Ying, “Mechanical synthesis of nanocrystalline α-Al2O3 seeds for enhanced transformation kinetics,”
Nanostructured Materials, vol. 9, no. 1-8, pp. 161-164, 1997.
[7] A. Tonejc, . D. D. Bagović and . C. Kosanović, “Comparison of the transformation sequence from γ-AlOOH (boehmite) to α-Al2O3
(corundum) induced by heating and by ball milling,” Materials Science and Engineering, Vols. 181-182, no. 0921-5093, pp. 1227-1231,
1994.

193
 197: Particle-scale analysis of soil arching during underground cavity formation using
suction-tension model in DEM
Umair Ali, Masahide Otsubo, Reiko Kuwano
Institute of Industrial Science, The University of Tokyo, Tokyo, Japan
Keywords
Discrete Element Method, Arching, Cavity, Capillary forces
Abstract
Design of resilient infrastructure, including underground structures, is of prime importance in
growing cities all over the world. However, in recent years, increasingly underground structures face
many challenges. For example, an increased number of underground cavities have been reported,
primarily due to defects in buried structures such as pipelines, box girders, etc. Such defects in
underground structure can cause soil erosion if the structure lies below the groundwater table,
eventually resulting in an adjacent cavity. Fluctuation of ground water level can promote cavity
expansion and in due course cave-in incidents may occur. The necessity to repair the caved-in
surfaces inhibits proper investigation of the underlying causes. The location of buried infrastructure
plays a vital role in the cavity formation and propagation (Sato & Kuwano, 2015). Although
groundwater fluctuation causes the cavity to expand, the arch formation around the cavity along
with capillary forces acts to prevent it from collapsing.
Discrete element method (DEM) simulations have been performed using a modified version of
granular LAMMPS software (Plimpton, 1995). Since the cavity formation is dominated by the
presence of water in the soil, there are noticeable marks of soil suction and surface tension. To
simulate the cavity experiments, the typical Hertz-Mindlin model was modified to introduce a
‘Suction-Tension’ model (Ji-Peng, Xia, & Hai-Sui, 2017). Since most of the cavities develop around
underground structures lying beneath roads and highways, a cyclic surcharge load was applied on
the top surface of the model to represent the effect of traffic loading.
Simulations were performed using both spherical and non-spherical particles in a rectangular 3D
sample having a bottom opening of a certain size. Results showed that the cases without any soil
suction could not sustain arching and the sample collapsed, whilst the introduction of suction-
tension model held the soil structure firmly and a stable cavity with arching was formed. The cyclic
loading tests revealed how the subsurface stresses are transferred around the cavity. Model cavity
tests, using the spherical glass beads and silica sand of equivalent diameter to the DEM simulations,
were performed to validate the simulation results and a good agreement was found between both
approaches.
REFERENCES
Ji-Peng, W., Xia, L., & Hai-Sui, Y. (2017). Stress–Force–Fabric Relationship for Unsaturated Granular
Materials in Pendular States. Journal of Engineering Mechanics, 143(9), 4017068.
https://doi.org/10.1061/(ASCE)EM.1943-7889.0001283
Plimpton, S. (1995). Fast parallel algorithms for short-range molecular dynamics. Journal of
Computational Physics. https://doi.org/10.1006/jcph.1995.1039
Sato, M., & Kuwano, R. (2015). Influence of location of subsurface structures on development of
underground cavities induced by internal erosion. Soils and Foundations.
https://doi.org/10.1016/j.sandf.2015.06.014

194
 199: Calibration and Validation of the Properties of Bulk Solids for Numerical/DEM
Simulations of Industrial Processes
Rouven Weiler1, Miguel Ángel Romero Valle1, Martin Schilling1, Hermann Josef Feise1, Tom Simons1,
Christoph Kloss2
1BASF SE, Ludwigshafen am Rhein, Germany
2DCS Computing GmbH, Linz, Austria

Keywords calibration, bulk properties, DEM

Abstract In the chemical industry the majority of the relevant processes are not fluid processes but
solid dominated processes. For the development of processes which are dominated by fluids, the
application of Computational-Fluid-Dynamics (CFD) is nowadays more and more established in the
chemical industry and becoming a standard tool as it already is in the automotive industry. In
contrast to that, the application of Discrete-Element-Methods (DEM) for simulating the majority of
solids dominated processes is still in an evolving stage. Although advanced commercial and open
source software for DEM-simulations is available and their usage is well established, there are still
challenges to face for a broader use of the DEM for developing, designing and optimizing granular
processes in the chemical industry.
BASF’s point of view is that todays main limitation is not the absence of reliable contact models but
the absence of a standardized approach for calibrating bulk properties of technical relevant
materials. To overcome this gap, BASF has participated in several EU-funded projects where several
European universities and industrial companies collaborated. Defining a method to calibrate bulk
material was one of the main project objectives.
However, using the projects’ results within industrial context requires additional effort which is
related to the collection and evaluation of the findings. This step shall be the development and
implementation of a calibration method in BASF. For that reason, BASF has been collaborating with
experts in bulk mechanics as well as with experts in DEM modeling. Based on this collaboration an
approach is presented which allows the standardized calibration of technical relevant bulk
materials.
The standardized approach comprises the definition of reliable calibration experiments. For
calibrating bulk materials applied in DEM simulations not only the calibration experiments are
important but also the sequence to obtain a distinct parameter set. In addition, this sequence can
depend on the process behind the calibration step. Furthermore, performing DEM runs for several
experiments to calibrate the bulk material takes a lot of time. Each investigated bulk parameter has
to be varied and compared to the experimental result until a certain agreement is achieved. To
avoid this huge time and cost consuming effort, each experiment is built-up in a DEM framework.
Every single experiment/simulation of this framework is mapped to a certain bulk parameter which
is calibrated by the variation of itself in a simulation run. A parameter is considered to be calibrated
if a certain quality criterion is achieved. These criteria are also presented and discussed. The final
step is the coupling of all necessary DEM simulations required to determine the bulk parameters
with a numerical optimizer.
Finally, a tool is available which allows the fully automated calibration of (non-cohesive) bulk
materials. This method has been used in industrial projects, and some representative results are
shown. In addition, the coarse graining of the particles and the scaling of their properties will be
discussed as coarse graining is mission critical to simulate a process in technical size within an
acceptable time frame.

195
 200: Friction of wheat on corrugated steel. Experiments and Discrete Element Method
modeling
Piotr Parafiniuk1, Joanna Wiącek1, Sidney Thompson2, Józef Horabik1, Marek Molenda1
1Institute of Agrophysics, Polish Academy of Sciences, Lublin, Poland
2University of Georgia, College of Engineering, Athens, USA

Keywords coefficient of friction, wheat, corrugated steel, dem

Abstract The friction between grains and walls of storage silo or handling equipment is an important
factor in the design and operation of such structures. Characteristics of the friction can be measured
in many different test devices but due to the lack of consistent theory experimental results are often
not easy for interpretation. One of the simplest method to measure coefficient of friction is direct
shear test. Corrugated steel walls have been in use to build grain storage bins for many years but
details of deformation in grain - corrugated wall interface remain unclear.
In order to examine the critical test parameters associated with measurement of friction coefficient
between wheat and corrugated wall a modified direct test apparatus was constructed and the
process was modeled using Discrete Element Method (DEM). The modified device differ from the
standard direct shear apparatus in the way that corrugated wall was pulled to create a shear plane
as it moved within stagnant grain.
Numerical simulations were carried out using the Discrete Element Method as implemented in the
EDEM software package. A wheat grain was modeled as a spheroid of volume equal to volume of
the real seed. Multisphere method was used to approximate the spheroidal shape.
The coefficient of friction was found to vary as function of both, sliding speed and normal pressure.
Experimental results showed that coefficient of friction increased with increasing velocity of shear
and, in the studied range, decreased with an increase in the normal pressure.
Numerical simulations clearly reproduced sliding plane, typical friction force-displacement
relationships were mimicked and simulations gave deeper insight into the micromechanics of the
process.

An example of the simulations. Colors mark different velocities of grains in horizontal direction at
steady-state flow. A scan of real wheat grain was imposed on the particles.

196
 202: A multi-scale FEMxDEM model applied to cohesive-frictional granular materials
Cyrille-B Couture, Jacques Desrues, Vincent Richefeu, Pierre Bésuelle
Univ. Grenoble Alpes, CNRS, Grenoble INP, 3SR, 38000 Grenoble, France, Grenoble ,
France
Keywords
FEMxDEM, multi-scale, contact law
Abstract

In the context of simulating the behavior of cohesive-frictional geomaterials under plane-

strain deformation mode, we present specific advances in the development of a
FEMxDEM double-scale numerical model. In this fully integrated approach, the macro-
scale problem is resolved using the Finite Element Method (FEM); while at the micro-
scale, a simulation using the Discrete Element Method (DEM) is performed on a periodic
elementary volume, composed of a 3D spheres packing with a predetermined initial state.
As the two models are used simultaneously, the later acts as a constitutive relation for the
macro-scale simulation where each elementary volume, associated with an integration
point, is continuously evolving with the imposed deformation. In turn, the FEM simulation
is directly dependant on the state and properties of these granular arrangements
representative of the behavior of the micro-structure.

In this communication, we present a damageable cohesive-frictional contact law at the

level of the elementary volume for DEM simulations. Results from a number of
simulations are also presented, demonstrating the mechanical behavior and localization
characterization for this model under various stress paths and micro-structural
arrangements.

197
 203: Computationally generated rheology in non-cohesive granular Couette flows
Fenglei Qi1, Bernhard Peters1, Sebastien Kiesgen De Richter2
1
Faculty of Science, Technology and Communication, University of Luxembourg, Esch sur
Alzette, Luxembourg
2
LEMTA, University of Lorraine, Nancy, France
Keywords
Rheology, DEM, Couette granular flow, granular material
Abstract
Pharmaceutical, energy production and food processing industries have a lot of unit
operations handling storage and transport of particulate solids. A fundamental but
challenging question is how to control the flow state of granular materials in such
operations, which leads to the study of rheology of granular materials. Rheology reflects
the relation between stresses and strains in a material, which inherently determines the
dynamic behaviors of granular materials. Carrying out the particle-scale dynamics
simulation with DEM has the potential of providing detailed insights for exploring granular
material rheological behaviors.
In our current research, we carried out DEM simulations of granular flows in a Couette
cell, a prototype flow system in fluid mechanics. Through the analysis of the stress and
strain information extracted from the simulations, we proposed a rheological correlation
which well explains the stress-strain relation in the studied system as shown in the Figure.
The developed rheological correlation can be adopted as a closure model in the
continuum description of granular flows.

198
 204: A DEM modeling of biomass fast pyrolysis in a dual auger reactor
Fenglei Qi
Faculty of Science, Technology and Communication, University of Luxembourg, Esch sur
Alzette, Luxembourg
Keywords
DEM, Biomass Pyrolysis, Dual Auger Reactor, Heat Transfer
Abstract
Biomass is a low-carbon renewable resource that has been used for thousands of years to
provide heat and energy in rural areas. More efficient and clean ways of utilizing biomass
such as fast pyrolysis were promoted in recent decades. Screw reactors are one of the
commonly used reactors for biomass fast pyrolysis. In a screw reactor, mechanical forces
are provided to the bed to enhance particle mixing and heat transfer, and achieve
particulate matter transport for continuous operation. The pyrolysis process in the screw
reactor configuration is a reactive granular flow system which involves particle flow, heat
transfer and biomass devolatilization reactions at the same time. However, the reactor-
scale evaluation of heat and mass transfer effects on the biomass fast pyrolysis is very
limited.
In this research, we proposed an extended DEM method for modeling the reactive
granular flow in a double screw reactor. The motion of particles is resolved with Discrete
Element Method (DEM). The heat transfer model which takes into consideration heat
conduction and radiation between particles was developed for predicting particle
temperature evolutions. A semi-detailed biomass devolatilization kinetics is adopted in
the simulation and the decomposition dynamics of the major biomass components and
pyrolysis products are analyzed at different operating conditions.
Results reveal that the heat of pyrolysis needs to be considered for accurate prediction of
biomass pyrolysis process in the reactor and the limitation factor in the biomass fast
pyrolysis arises from external heat transfer to the biomass particles. The hemicellulose
and cellulose decompositions are predicted to start around 480 K and 600 K, separately,
and the predictions are in agreement with experimental studies. The yield prediction of
tar vapor, non-condensable gas and char are in reasonable agreement with experimental
studies considering the limitations of the model itself and the pyrolysis kinetics available
in the literature.

199
 205: Optimisation of ballasted tracks maintenance using DEM
Jean-Francois FERELLEC
SNCF RESEAU, Saint Denis, France
Keywords railway,track,ballast,maintenance,DEM
Abstract Maintenance of ballasted railway tracks has been heavily relying on empirical observations
for decades. Railway companies are now investing in innovative approaches in order to be able to
analyse and optimise the maintenance processes which are becoming stricter because of more
frequent and heavier traffic. The discrete element method (DEM) is considered the most adequate
approach to treat these problems because of the granular nature of ballast.
In the present study, the non-smooth contact dynamic (NSCD) approach of DEM has been used to
analyse the interaction of different ballasted track maintenance tools with ballast in processes
called tamping, dynamic stabilisation and crib compaction. Tamping consists in compacting the
ballast under the railway sleepers after lifting them for track geometry correction (figure 1).
Dynamic stabilisation consists in vibrating laterally the track to stabilise it after tamping. Crib
compaction is an alternative to dynamic stabilisation which consists in compacting directly the
ballast between the sleepers by applying a vertical load with vibrating plates. The DEM code called
LMGC90 in which ballast is represented by polyhedra has been used to resolve different problems
related to these maintenance processes.
Tamping is for example very aggressive regarding ballast. Solutions aiming at reducing ballast
degradation due to tamping like ballast fluidisation using plate or needles, or tools insertion speed
control, have been analysed, the latter being the most promising. Dynamic stabilisation efficiency
depends on various parameters including vibration frequency, vertical load or rolling speed. These
were analysed in a parametric study which pointed out the importance of rolling speed of the
stabilisation equipment on the ballast density and the lateral resistance of the track which is crucial
to avoid buckling of the track during high temperature variations. Although promising as an
alternative to dynamic stabilisation thanks to its efficient compacting capabilities and related lateral
resistance, crib compaction in its present conditions alters considerably the profile of the shoulder
of the track (figure 2) hindering its compliance with the French railway network standards.
Compared with dynamic stabilisation, it seems however more effective in correcting the
heterogeneity of the ballast layer induced by the tamping process and a lateral resistance just 20%
lower.
DEM proved finally an excellent tool to address this type of analysis and really helped improving the
maintenance operations of ballasted tracks. This work is still under development. Efforts are under
way to improve the accuracy of the process by introducing a multi-body module to LMGC90.

Figure 1: Tamping process simulation Figure 2: Crib compaction simulation

200
 206: Numerical study on particle breakage and mechanical behavior of coral sand
Yang LUAN, Xueliang ZHAO, Weiming Gong
Southeast University, Nanjing, China
Keywords
Coral sand, particle breakage, triaxial compression test
Abstract

Breakage of particles has a significant impact on mechanical behavior of coral sand. This
paper describes the numerical study on the effects of particle shape, particle size
distribution, void ratio and confining stress on particle breakage and mechanical behavior
of coral sand under conventional triaxial compression, using the commercial code PFC3D.
A new method of using continuous triangular planes to simulate the membrane is
proposed. Bond contact, allowing tension shear fracture within each coral sand particle, is
adopted to explore the particle breakage. Validation of the model with consideration of
the particle breakage is conducted by comparing the numerical macroscale response with
the results from laboratory tests. With the validated model, macroscale behaviors of the
specimen including the stress-strain relationship, volumetric strain, and state at peak
strength are studied. And mesoscale behaviors at particle level including particle rotation,
particle velocity, particle displacement of the specimens are investigated. Finally, the
relation between mechanical behavior and evolution of particle breakage is studied. The
numerical modelling of the particle breakage and mechanical behaviors of the coral sand
is supposed to be useful for the future further study of the practical projects related to
coral sand.

201
 207: Virtual Prototyping of Particulate Processes - Multiscale simulations of the Selective
Laser Sintering process
Juan E Alvarez, Hongyang Cheng, Anthony R Thornton, Thomas Weinhart
University of Twente, Enschede, Netherlands
Keywords Particulate process, Selective laser sintering, multiscale, virtual prototyping
Abstract Additive Manufacturing refers to a set of processes where a product is
manufactured by depositing material. One of these techniques, which is gaining attention,
is Selective Laser Sintering (SLS). Using this technology, aircraft components, medical
implants, and even fashion products can be produced from particulate materials (e.g.,
granulated plastic, ceramic, metal). In the SLS approach, a three-dimensional object is
formed by hardening selective regions of the raw material with a scanning laser. While
some components of this process are well-understood at a macroscopic stress-strain level,
very little is know about what is happening at the microscopic particle level. In addition,
how microscopic changes affect the macroscopic domain, especially during the sintering
process, cannot be reliably predicted. Therefore, the calibration of the SLS process relies
on trial-and-error experiments.
In order to understand, predict, and optimize the mechanical performance of SLS, we
propose a virtual prototyping (ViPr) approach, whereby the full process is simultaneously
simulated at the macro- and micro- scale. Thus, we can model the whole physical system,
ranging from the dynamic region where the laser impacts, to the heat-diffusion within the
bulk material. This work uses the discrete particle method (DPM) to model the sintering
region [1,2], while a continuum thermo-mechanical model is applied elsewhere [3]. The
two models are coupled in an overlapping region using the coarse-graining technique [4],
which obeys the macroscopic conservation laws of continuum mechanics. For
computational efficiency, two open-source software packages are integrated into a single
executable: oomph-lib as FEM solver [5], and MercuryDPM as particle solver [2].
Furthermore, goal-oriented mesh refinement will be used to determine when and where
micro- and macro-model must be applied. Finally, for validation and calibration, rapid
prototyping will be used to create miniature setups, which can be fully simulated.
References:
[1] N G Deen, M Van Sint Annaland, M A Van der Hoef, and J A M Kuipers. Review of discrete particle
modeling of fluidized beds. Chem. Eng. Sci. , 62(1-2):28–44, 2007.
[2] T Weinhart, D R Tunuguntla, M P van Schrojenstein-Lantman, A J Van Der Horn, I F C Denissen, C
R Windows-Yule, A R Thornton. MercuryDPM: A fast and flexible particle solver Part A: Technical
Advances. International Conference on Discrete Element Methods. Springer, Singapore ., 1353-1360,
2016. See http://mercurydpm.org.
[3] W Ge, W Wang, N Yang, J Li, M Kwauk, F Chen, X Liu. Meso-scale oriented simulation towards
virtual process engineering (VPE)-The EMMS Paradigm. Chem. Eng. Sci ., 66(19):4426–4458, 2011.
[4] T Weinhart, A R Thornton, S Luding, and O Bokhove. From discrete particles to continuum fields
near a boundary. Granular Matter. , 14(2): 289-294, 2012.
[5] M Heil and A L Hazel. oomph-lib - An Object-Oriented Multi-Physics Finite-Element Library. Fluid-
Structure Interact. , 19–49, 2006. See http://oomph-lib.maths.man.ac.uk .

202
 208: Critical time-step for DEM simulations using a Hertzian contact model and Euler
integrator
Di Peng, Shane J. Burns, Kevin J. Hanley
The University of Edinburgh, Edinburgh, United Kingdom
Keywords
discrete element method (DEM), time-step, Euler, velocity Verlet, integrator
Abstract

Discrete element method (DEM) simulations usually adopt an explicit, conditionally stable
numerical integration scheme. The simulation time-step should be maximised to ensure
simulation efficiency while ensuring the simulation remains stable at all times. A recent
publication [Burns, S.J., Piiroinen, P.T. & Hanley, K.J.: Critical time-step for DEM
simulations of dynamic systems using a Hertzian contact model, Int. J. Numer. Meth.
Engng.] has proposed a novel method to determine the critical time-step for two
contacting Hertzian spheres using a velocity Verlet integrator, based on the fact that the
discretised equations of motion can be analysed as a nonlinear map. In this paper, the
methodology has been extended to a simpler Euler integrator. An explicit expression for
the critical time-step is obtained in the absence of damping which is a function of particle
shear moduli, radii, densities, Poisson's ratio and the impact velocity of the particles. The
expressions derived for critical time-step are the same for an Euler integrator as for a
velocity Verlet integrator, i.e., the critical time-step does not depend on which integrator
is selected. Increasing the impact velocity leads to a smaller critical time-step.

203
 209: DEM analysis of residence time distribution during twin screw granulation
Charley Wu, Ling Zhang
University of Surrey, Guildford, United Kingdom
Keywords
DEM, residence time distribution, twin screw granulation, wet granulation
Abstract
Twin screw granulation (TSG) became a popular wet granulation process in various
industries, such as food, pharmaceutical, and fine chemicals, because of its high
throughput, short resident time and reproducibility. However, there is a large parametric
space in terms of screw design, formulation and operating condition, so how to maximise
the production throughput while maintaining consistent quality of the final product is not
a trivial task and still needs a comprehensive investigation. Different approaches, such as
experimental study, population balance modelling and DEM simulations, were taken to
explore the TSG by many researchers. Among these approaches, DEM simulations can not
only provide macroscopic information but also microscopic insights into the complicated
TSG process. Hence, in this study, DEM was employed to systematically explore the TSG
process. DEM simulations were performed using conveying element, distribution element
and kneading elementwithin TSG separately. In addition, various staggering angles (30°,
60° and 90°) in the kneading element were also considered. The average particle velocity,
resident time distribution, collision frequency and contact energy spectra were obtained
from the DEM simulations for each individual screw element. It was shown that the
powder flow behaviour depends significantly on the element type, the simulation can
provide the insight of key physical features of each individual screws and can be used to
optimise the TSG process.

204
 210: A scaling approach for two-order faster CFD-DEM modelling of thermochemical
behaviours in moving bed reactors
Qinfu Hou1, Dianyu E1,2, Shibo Kuang1, Aibing Yu1,3
1
Monash University, Clayton, Australia
2
Jiangxi University of Science and Technology, Nanchang, China
3
Southeast University - Monash University Joint Research Institute, Suzhou, China
Keywords
CFD-DEM; Scaling; Heat/mass transfer; Chemical reaction; Moving bed reactor
Abstract
Intensive heat and mass transfer between continuum fluids and discrete particulate
materials plays a critical role in many chemical reactors. For example, the shaft furnace
and the blast furnace in ironmaking are operated with continuous charge and discharge of
solid materials, and it takes hours for the solid materials moving from the furnace top to
the bottom. To understand and improve the operation of these reactors, discrete particle
models are very helpful when combined with flow, heat and mass transfer, and chemical
reaction models. However, due to the high computational cost with such discrete particle
models, it is very challenging until now to study these slow and transient processes. Here,
a scaling approach is established for the combined computational fluid dynamics (CFD)
and discrete element method (DEM) modelling of moving bed reactors. The scaled model
is first derived based on the governing equations of mass, momentum and energy and
then applied to a moving bed reactor. The results in terms of flow, heat and mass transfer
and chemical reactions with different scaling factors demonstrate that two-order
acceleration can be achieved merely by the scaling approach. It is a critical step forward
towards establishing virtual real-time thermochemical reactors with discrete particle
models.

205
 211: The Solidity finite-discrete element code for simulating complex-shaped rigid and
deformable bodies: methodology for a validation study of multi-body systems
Ado Farsi, Tan Yun Zhou, Jiansheng Xiang, John-Paul Latham
Imperial College London, London, United Kingdom
Keywords FEM, DEM, FEMDEM, Multibody, Experiments, Simulations, Contact, Friction
Abstract The implementation of the Finite Discrete Element Method (FEMDEM) in
computational mechanics is becoming popular in industrial and university research
sectors for problems seeking priority of accuracy over ability to process large particle
numbers in granular flows. The Solidity FEMDEM code has been developed to solve solid
mechanics problems. However, the accuracy of the Solidity code has never been
thoroughly validated in terms of its contact mechanics and multi-body interaction
behaviour, especially for the case of complex shaped bodies.

Figure 1: Comparison of the articulation of a rubber Core Loc tower as the base inclines
from A to D taken at 5ms interval. Simulated tower (top) and actual experiment (bottom).
A validation study that compares laboratory experiments with simulation will be
presented. The study uses complex shaped bodies such as cylindrical cogged shaped
catalyst pellets and model scale breakwater armour units. The validation focuses on: (1)
the mechanical response associated with single-body impacts, (2) the dynamics of multi-
body interaction in body translation and rotation (Figure 1), and (3) the multi-body
interactions of complex-shaped particles in pile column and their force chain mechanism
for load transmission. Quantitative and qualitative assessments have been performed
showing encouraging agreement between simulations and experiment results.

206
 213: Lattice Boltzmann simulations of porous particulate flows
Chenggong Li, Mao Ye, Zhongmin Liu
Dalian National Laboratory for Clean Energy, National Engineering Laboratory for MTO,
Dalian Institute of Chemical Physics, Dalian, China
Keywords Porosity, Permeability, Porous Particulate Flows, LBE, Volume-Averaged
Macroscopic Equation
Abstract The comprehensive understanding of the particle-fluid interaction is very
important for fluid-particles system, and thus many studies have been conducted for the
particle-fluid system[1-3] of solid impermeable particles. In the real industrial fields such as
the catalyst process in chemical engineering[4], the particles usually possess the porous
structure which will have effects on the fluid-particles interaction[5-6]. However, there has
been little open literature discussing the particle-fluid system of porous permeable
particles. Therefore, the objective of the present study is to investigate the effect of the
porosity and permeability on the porous particulate flows which are formulated by the
volume-averaged governing equations[7] in terms of intrinsic phase average velocity. The
lattice Boltzmann equation model (LBE)[8] is used to solve the governing equations. Firstly,
we validate the LBE model by the numerical results existing in the literature for the flow
around and through one porous particle. Then, the porous particles settling against
gravity in a quiescent fluid, i.e., the DKT process[9] for porous particles, is investigated. The
effects of the porosity and Darcy number on the porous particulate flows are studied
numerically in details. Also, we present the simulation results of the fluidization of 512
porous particles. Our results demonstrate the significance of the porous structure of
particles for the particles dynamics behaviors.
Reference
[1] Ladd, A.J.C., 1994. Numerical simulations of particulate suspensions via a discretized Boltzmann
equation Part I. Theoretical foundation. J. Fluid Mech., 271, 285-310.
[2] Hill, R.J., Koch, D.L., Ladd, A.J.C., 2001. The first effects of fluid inertia on flows in ordered and
random arrays of spheres. J. Fluid Mech. 448, 213-241.
[3] Van der Hoef, M.A., Beetstra, R., Kuipers, J.A.M., 2005. Lattice Boltzmann simulations of low-
Reynolds-number flow past mono- and bidisperse arrays of spheres: results for the permeability and
drag force. J. Fluid Mech. 528, 233-254.
[4] Zhao, Y.F., Li, H., Ye, M., Liu, Z.M., 2013. 3D numerical simulation of a large scale MTO fluidized
bed reactor. Ind. Eng. Chem. Res. 52, 11354-11364.
[5] Noymer, P.D., Glicksman, L.R., Devendran, A., 1998. Drag on a permeable cylinder in steady flow
at moderate Reynolds numbers. Chem. Eng. Sci. 53, 2859-2869.
[6] Zhu, Q.Y., Chen, Y.Q., Yu, H.Z., 2014. Numerical simulation of the flow around and through a
hygroscopic porous circular cylinder. Comput. Fluids 92, 188-198.
[7] Wang, L., Wang, L.-P., Guo, Z.L., Mi, J.C., 2015. Volume-averaged macroscopic equation for fluid
flow in moving porous media. Int. J. Heat Mass Trans. 82, 357-368.
[8] Chen, S.Y., Doolen, G.D., 1998. Lattice Boltzmann method for fluid flows. Annu. Rev. Fluid Mech.
30, 329-364.
[9] Fortes, A.F., Joseph, D.D., Lundgren, T.S., 1987. Nonlinear mechanics of fluidization of beds of
spherical particles. J. Fluid Mech. 177, 467-483.

207
214: Granular shear flows of frictionless and frictional cylinders with different particle size
distributions
Jiahui Hao 1,Yanjie Li 1, Yu Guo2
1
Beijing Forestry University, Beijing, China.
2
Zhejiang University, Hangzhou, China
Keywords
Discrete Element Method, granular flow, cylindrical particle, particle size distribution
Abstract
Granular shear flows of cylindrical particles are numerically investigated using the Discrete
Element Method (DEM). The impact of particle size distribution on the flow behavior and
stresses has been explored by adopting two types of particles (frictional and frictionless)
in binary and Gaussian size distribution respectively. Without friction, due to the
interaction of particles in the mixture, the alignment of longer particles is weakened,
while the alignment of shorter particles is enhanced. The increasing volume ratio of a
species of particles in a binary-sized system causes the stress to develop towards the
monodispersed stress of this species. In Gaussian system the stresses are insensitive to
the standard deviation of particle length distribution. In shear flows of frictional particles,
the stress increases sharply with intense fluctuations when solid volume fraction reaches
the jamming point, jamming point can be defined as the point with maximum stress
fluctuation or maximum stress increase rate. In both binary and Gaussian size distribution
systems, the critical solid volume fraction for jamming decreases with the increasing
average particle aspect ratio. Meanwhile, for systems with the same average particle
aspect ratio, jamming occurs at a higher solid volume fraction for the higher
polydispersity. The results from this study may be useful for the development of
constitutive models for the granular flows of polydispersed, non-spherical particle
systems.

208
 215: Effect of height of fall on coke collapse in a simplified model of blast furnace
Sandip Gharat
Department of Chemical Engineering, Shroff S. R. Rotary Institute of Chemical Technology
Vataria, Ankleshwar - Gujarat 393 135, India
Keywords
Coke Collapse, Blast furnace, Heap
Abstract
The blast furnace is a key process unit in the manufacture of steel in which iron ore is
chemically reduced to molten metal at high temperature. Coke and ore are fed alternately
at the top of the blast furnace by means of an inclined chute rotated about its vertical
axis. For each rotation, the particles fall on the sloping burden form a circular ring.
Charging of this metallic ore burden over the layer of coke causes a portion of the coke
layer to get dislodged from its original position. This phenomenon is known as coke
collapse. We have studied the effect of height of fall on coke collapse in a blast furnace
using quasi two dimensional rectangular bins (two
vertical glass plate separated by a gap of 10 mm). In-order to get the desired density
difference between the pouring media, stainless-steel balls of size 1.5 mm (representing
the ore) and glass-beads of size 2.55 mm (representing the coke) are used as a model
granular materials. The key parameter in this study is height of fall (HOF). We have
performed experiment for fixed volume of pouring and size of particles (steel ball) by
varying height of divider from the bottom of the bin. The images are captured using a
Nikon-DX camera and analyzed using computer code to
determine the position of each particle (steel ball and glass bead). The results presented
here are in terms of concentration of steel balls by making bin of size 5 x 5 mm. The
interface line between steel ball and glass bead is analyzed separately and plotted for all
data sets. Each experiment is repeated three times to get an average data.

209
 216: A micromechanical, μUNSAT, approach for wet granular soils: Toyoura sand case
study
Jérôme Duriez1, Sacha Duverger1, Richard Wan2
1RECOVER, Irstea, Aix-en-Provence, France
2Dpt of Civil Eng., University of Calgary, Calgary, Canada
Keywords wet granular soils, Toyoura sand, effective stress
Abstract Granular soils handled by civil engineering operations are often to be found in an
intermediate state of water saturation. Following Chateau & Dormieux [1], we propose a
micromechanical approach, combining analytical homogenization with Discrete Element Method
simulations for a better understanding of the mechanical behavior in wet conditions, and its
possible interpretation in a stress-strain-strength effective stress framework.
Analytical homogenization first leads to a micromechanical, so-called μUNSAT, expression for the
stress state of wet granular soils, whereby all internal forces are accounted for, through:

• a so-called contact stress accounting for the contact forces between solid particles, being
equal to the total stress in dry conditions;
• additional capillary stresses which include both the pressure difference between air and
water, and the air-water surface tension. The corresponding internal forces are described
within the bulk fluid volumes, within the fluid-fluid interface, as well as along the solid-
fluid interfaces, through tensorial terms. The tensorial (non-spherical in general) nature of
the expressions aptly describe preferential directions for those internal forces,
corresponding for instance to the orientations of the wetted solid surfaces, which sustain
water pressure along their normals only [2,3].
Then, a recent DEM model [4,5] allows us to present new applications of the μUNSAT approach, to
the case of Toyoura sand in the pendular regime. In line with recent results on other granular
materials [6,7], the combination of DEM with the μUNSAT expressions demonstrate:

• the tensorial nature of the capillary stresses;

• the stress-strength effective nature of the contact stresses, with a unique, cohesionless,
failure description of dry and wet conditions;
• a limited stress-strain effective nature of the former. Similar stress-strain behaviors are
actually observed along contractant loading paths and for dense samples, where energy
dissipation phenomena are less marked.
[1] Chateau X. & Dormieux L. (1995) Homogénéisation d’un milieu poreux non saturé : lemme de Hill et
applications, C. R. Acad. Sci. Paris
[2] Duriez J. & Wan R. (2016) Stress in Wet Granular Media with Interfaces via Homogenization and
Discrete Element Approaches, Journal of Engineering Mechanics
[3] Duriez J., Eghbalian M., Wan R. et Darve F. (2017) The micromechanical nature of stresses in triphasic
granular media with interfaces, Journal of the Mechanics and Physics of Solids
[4] Duriez J. & Wan R. (2017) Contact angle mechanical influence in wet granular soils, Acta Geotech.
[5] Duriez J. & Wan R. (2017) Subtleties in discrete-element modelling of wet granular soils, Géotechnique
[6] Duriez J. & Wan, R. (2018) A micromechanical μUNSAT effective stress expression for stress-strain
behaviour of wet granular materials, Geomechanics for Energy and the Environment
[7] Duriez J., Wan R., Pouragha M. and Darve F. (2018) Revisiting the existence of an effective stress for
wet granular soils with micromechanics, Int J Numer Anal Methods Geomech.

210
217: A framework for the simulation of coupled thermal-hydraulic-mechanical processes in
discrete element systems
Robert Caulk, Bruno Chareyre
Université Grenoble Alpes, Grenoble, France
Keywords
yade, extensible, thermal, hydraulic, mechanical, THM, DEM, open source
Abstract
This presentation outlines the theoretical framework and practical implementation of a
fully Thermal-Hydraulic-Mechanical model, ThermalEngine, in Yade (Smilauer 2015). Yade,
an open source software, is combined with a thoroughly validated Pore Finite Volume
(PFV) scheme (Chareyre 2012, Caulk 2019) to simulate pore-scale fluid fluxes and
poroelasticity. These pore scale fluxes are reused to enable a highly efficient heat
advection scheme based on conserving pore energy. Conductive heat transfer is solved
explicitly in time by conserving energy and modeling heat fluxes between pores and
particles with classic heat transfer models. Particles and pore fluids thermally expand or
contract based on temperature changes, which enables estimates of volume changes that
are superimposed on the rate of volume change used for the solution in the PFV scheme.
In addition to the theoretical framework, the practical parallelization of these methods in
Yade open source code is discussed. Toward application, the conduction model is
analytically verified with a simple 1D case, the advection model is numerically verified
with a finite element comparison, and the fully coupled thermal-hydraulic-mechanical
model is experimentally/numerically validated with literature-based data. Following the
validation, a brief overview of the accessibility and flexibility of the source code is
presented for prospective users and applications.

211
 218: Thermal-hydro-mechanical coupling simulation by using the discrete element
software MatDEM
Chun Liu, Bin Shi, Hui Liu
Nanjing University, Nanjing, China
Keywords
coupling, MatDEM, millions of elements, GPU
Abstract
Large deformation, failure and thermal-hydro-mechanical coupling are involved in many
modern engineering construction, such as tunnel excavation, hydraulic fracturing and so
on. Failure processes can be well simulated via discrete element method. However, DEM
based multi-field coupling approaches and corresponding software still are lack. During
the last seven years, we developed a three-dimensional discrete element software
MatDEM. Based on innovative GPU matrix computing method, it can handle millions of
elements in one computer. To address the multi-field coupling issues, the numerical
simulation of heat generation and energy conservation is implemented in the software;
heat conduction and thermo-mechanical coupling simulation are carried out based on the
idea of finite difference; a discrete element pore density flow method is proposed to
simulate fluid-solid coupling processes. The source code of examples and the simulate
results are available on http://matdem.com.

212
 219: Automatic training of discrete element model with specified mechanical properties
Chun Liu, Yan Qin, Tiancheng Le
Nanjing University, Nanjing, China
Keywords
automatic training, conversion formulas, macro-micro, MatDEM
Abstract
Rock is represented by an assemblage of a series of bonded elements in discrete element
method. Generally, the discrete element modeling relies on troublesome calibration
processes to determine the correct inter-element mechanical parameters. We derived the
conversion formulas of close-packed model. In the formulas, inter-element parameters
can be determined according to mechanical properties of model, including Young's
modulus, Poisson's ratio, tensile strength, compressive strength and coefficient of internal
friction. Based on the formulas and an automatic training method, we are able to obtain a
discrete element model with specified mechanical properties automatically. The method
was implemented in our software MatDEM, which can handle millions of elements in one
GPU. A series of examples will be shared, including landslides, microwave breaking rock,
shear box test and heat-mechanical coupling of pile, etc. The MatDEM software and the
code can be downloaded from the website http://matdem.com

213
 220: Experimental Measurement of the Coefficient of Restitution of Peas
Huinan Sun, Zhuoqing Zhang
COFCO Research &Engineering (Zhengzhou) CO., Ltd., Zhengzhou, China
Keywords
experiment; coefficient of restitution; peas; high-speed camera
Abstract
The unique characteristic of grains being a typical granular material determines the
production efficiency of processing, storage and transportation processes.

The application of DEM simulation can optimize the equipment production by effectively
solving the existing problems in terms of grains storage, transportation and processing,
which in turn increase the efficiency at each level of production and thus decrease the
cost of production.

In DEM simulation, the key to an effective simulation result is to ensure that the
parameters of grain material properties are input accurately. Among the parameters, the
coefficient of restitution of grains is important.

Taking peas as the research object, this paper presents the deficiency of using high-speed
cameras in obtaining the coefficient of restitution of grains. Through improvisation, a new
experiment device is designed. The coefficient of restitution of peas obtained from the
experiment in using the new device. It is applied in the simulation of the transportation
process. Assist the researchers to analyze the reasons for equipment damages in the
warehouse and propose viable solutions.

214
 221: Dust pick-up rate for upright vacuum cleaner with rotating brush on the carpet tufts
investigated by 1-way CFD-DEM coupling with bonded particle models
Jaehee Lyu1, Seungwoo Lee1, Jinsu Nam1, Sangik Lee2, Junyoung Park1
1Kumoh National Institute of Technology, Gumi, Korea, Republic of
2LG Electronics, Seoul, Korea, Republic of

Keywords DEM, BPM, Upright vacuum cleaner, dust pick-up rate, CFD
Abstract As the enhancement of industries, vacuum cleaners for family use have been developed
and are steadily evolving to efficiently remove large and small dust. The dust pick-up rate generally
decides the performance of a vacuum cleaner. It is well known that the dust pick-up rate depends
on the type of cleaner, the type of floor, the cleaning time, the physical properties of the rotating
brush in the head, the traveling speed of the head and so on. However, traditional studies have
been dependent entirely on experiments, and only the pick-up rate before and after the experiment
has been macroscopically compared, so that the microscopic mechanism of actual dust pick-up
inside the rotating head of the brush has not been elucidated . In order to clarify this mechanism, it
is necessary to measure the behavior of dust particles in the head in real time, but in the
experiment it is almost impossible due to the opacity of the head part and the carpet. Therefore, in
this study, we investigated the dynamic behavior of dust particles in a carpet cleaner by Discrete
Element Method using Bonded Particle Model. The simulation was modeled on the basis of upright-
type on wool carpet with actual cleaners.
Dust pick-up rate is inevitably affected by the flow pattern between the head and the carpet, and
the strength of the carpet tufts / rotating brush. In addition, numerous carpet tufts and many
rotating brushes continuously create numerous collisions, ie, multiple contacts, during cleaning. In
particular, the collision of carpet tufts and rotating brushes can be considered as fiber-fiber contacts
with long slender shape in modeling. For the deformation of carpet tufts and rotary brush, modeling
of bending deformation is inevitable, and because the amount of deformation is large, it generally
shows nonlinear-deformation. Therefore, the discrete element method based on BP Model was
used to solve the problem of multiple contact and nonlinear bending deformation. In order to
confirm the accuracy of the discrete element method based on BP model, the tensile, bending and
torsion tests of the BP model were compared with theoretical results, and all of them were found to
agree fairly well within 5% error.
The flow pattern between the head and the carpet was analyzed using CFD, and the result was
analyzed by 1-way coupling by Discrete Element Method. The CFD analysis results without laden
particles were coupled with the discrete element method by drag force.
In addition, the air flow acquired by CFD thrust the dust particles and the particles moves in
accordance with the collision with the carpet brush / rotary brush based on Discrete Element
Method. Therefore, the dynamic behavior of the dust particles inside the head can be accurately
investigated, and it is possible to analyze the flow pattern in the front part and the rear part of the
cleaner head. Therefore, based on these results, it is expected that further research will be
conducted to improve the dust pick-up performance of the cleaner.
This research was supported by the Basic Science Research Program through the National Research
Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (NRF-
2018R1A2B 2004207)

215
 222: Coupling heat conduction and fracture to model thermal shocks with DEM
Christophe Martin
Univ. Grenoble Alpes, CNRS, SIMaP, Grenoble, France
Keywords fracture, thermal shock, heat transfer, crack nucleation, crack propagation, DEM
Abstract Crack nucleation and crack propagation are ubiquitous in engineering applications and in
natural processes. Thermal shocks are a good example of phenomena with complex crack patterns.
The numerical simulation of thermal shocks is challenging when the goal is to explore both crack
nucleation and propagation [1]. Thanks to its capability to account for topological modifications
(crack growth, branching, …), DEM is a powerful tool to tackle thermal shocks. Still, there are very
few examples of DEM being used to model thermal shock or thermal cycling [2]. Here, we
investigate the classical problem of a sample initially at a homogeneous temperature and quenched
in a cold bath for which detailed experimental results exist [3]. The plate is discretized using a
random packing of particles with elastic properties calibrated as described in [4]. The particle size
used to discretize the plates governs the fracture toughness of the material and can be seen as a
material internal length. DEM simulations are carried out in quasi-static conditions. We model heat
transfer and thermal expansion on this discretized plate. The Griffith length, which describes the
severity of the thermal shock [1] dictates the crack pattern. In accordance with FEM numerical
results [1] and experimental data [3], we show that mild shocks (large Griffith length) result in none
or few cracks while severe shocks (small Griffith length) lead to multiple cracks with a periodic
pattern. We observe that initially a homogeneous damage arises with short cracks growing. A
selective propagation phenomenon arises and some short cracks stop while other develop to longer
cracks. The length and spacing of theses cracks agree very well with the experimental data (see
figure).

Experimental (top, [2]) and DEM results (bottom) for mild (a) and severe (b) thermal shocks.
[1] Bourdin, B., Marigo, J. J., Maurini, C., & Sicsic, P. (2014). Morphogenesis and propagation of
complex cracks induced by thermal shocks. Physical Review Letters, 112(1), 1–5.
[2] Huang, H., Spencer, B., & Hales, J. (2014). Discrete element method for simulation of early-life
thermal fracturing behavior in ceramic nuclear fuel pellets. Nuclear Engineering and Design, 278,
515–528
[3] Shao, Y., Zhang, Y., Xu, X., Zhou, Z., Li, W., & Liu, B. (2011). Effect of Crack Pattern on the Residual
Strength of Ceramics After Quenching. J. Am. Ceram. Soc., 94(9), 2804–2807.
[4] Kumar, R., Rommel, S., Jauffrès, D., Lhuissier, P., & Martin, C. L. (2016). Effect of packing
characteristics on the discrete element simulation of elasticity and buckling. International Journal of
Mechanical Sciences, 110, 14–21.

216
 224: High-stress impact-abrasion test by Discrete Element Modelling
Edouard Izard1, Haithem Ben Hamouda2, John Vande Voorde2
1
ArcelorMittal Global R&D Maizières, Voie Romaine, F-57283, Maizières-Lès-Metz, France.
2
ArcelorMittal Global R&D Gent – OCAS NV, Pres. J. F. Kennedylaan 3, 9060, Zelzate,
Belgium
Keywords particle impact, abrasion, test, DEM
Abstract We present a Discrete Element Model (DEM) of the impeller-tumbler wear test
which is used to study high-stress impact abrasion mechanism on steel plates with the use
of granite particles as abrasive materials. A DEM calibration procedure of the granite
particles is first performed to set particle-scale DEM parameters such as density and
frictions. Using this calibration, simulations of impeller-tumbler wear test are realized and
show a qualitatively agreement with experimental observations. Notably, tested sample
edges are first abraded as in the experiments. Also, simulation results show a linear
increase of the abrasion energies collected with the time on the steel plates which is in
accordance with the linear time evolution of sample mass loss in experiments. A
numerical parametric study is realized to better understand operating conditions of the
test varying the rotating speeds of the impeller and the tumbler. In addition, the DEM
model permits to investigate abrasion phenomena by local measurements in the
simulation of forces magnitude, impact velocities and abrasion energy locations which are
difficult to assess in experiments.
Particle velocity (m/s)

Figure 1: Granular flow inside the tumbler-impeller tester. Particles are colored by velocity
norm from small in blue to high values in red.

217
 225: Yade - Open Source Discrete Element Method
Bruno Chareyre
CNRS, University Grenoble Alpes, Grenoble INP, 3SR lab., Grenoble, France
Keywords
DEM, C++, Python, fluid coupling
Abstract
Yade is an extensible open-source framework for discrete numerical models, focused on
Discrete Element Method. The computation parts are written in c++ using flexible object
model, allowing independent implementation of new alogrithms and interfaces. Python is
used for rapid and concise scene construction, simulation control, postprocessing and
debugging.

The development group is international and open to new contributors. Development is

kindly hosted on launchpad and GitLab ; they are used for source code, bug tracking and
source downloads and more. Building, regression tests and packages distribution are
hosted on servers of the Grenoble Geomechanics group at Laboratoire 3SR and UMS
Gricad. Binary packages are distributed for Debian linux distributions and derivatives
(Ubuntu), stable versions are available in the standard linux repositories.

Yade features a large variety of contacts models, various methods for non-spherical
particle shapes, and structures such as wires, meshes, and membranes. A number of
algorithms are included in the source code for simulating fluid flow and partial saturation.
Yade also enables couplings with third party code such as Escript or OOFEM.

218
 226: Examining roller screen performance to categorize iron ore green pellets to optimize
pellet induration
Dmytro Cherepakha1, Jerome Johnson2, Anton Kulchitsky2
1Coupi, Inc., Kyiv, Ukraine. 2Coupi, Inc., Fairbanks, USA

Keywords Discrete element method, Simulations, Mining, Roller screen, performance, pellets, optimization
Abstract Within the iron ore mining industry, roller screens (Figure 1) are used to segregate green iron ore
pellets, which are weak and easy to break, to a size range of around 8-18 mm (on-size) from a raw pellet size
range of between 6 – 20 mm in diameter (Silva et al., 2018). This is done by depositing the raw pellet stream
onto a roller screen consisting of several sections of rolls with different gaps to remove undersized pellets
(<8mm), segregate on-size pellets (8-18 mm) and allow oversized pellets to run off the end of the screen. The on-
size pellets are hardened in an induration furnace prior to transport. The permeability of the on-size pellet bed
allows ready flow of hot gases through the pellets reducing fuel consumption of the induration furnace,
increased productivity and improved the quality and uniformity of hardened pellets. Oversized and undersized
pellets are returned to pelletizing drums or discs for reprocessing (disc return rate). Optimizing the screening
process to reduce the disc return rate and contamination of the on-sized pellet stream by oversized and
undersized pellets can further increase the productivity and reduce costs of the pellet induration process. As it is
cost prohibitive to experimentally examine the factors affecting roller screen performance, we use the discrete
element method to extend the range of parameters examined by Silva et al. (2018). who found that reducing the
gap between rolls in the section to remove undersized pellets from 8.8 mm to 7.5 mm the loss of undersized
pellets is reduced significantly and the disc return rate reduced by more than half.

Figure 1. Discrete element method model for iron ore roller screen segregation by sized
In this presentation we present roller screen pellet segregation performance as function of roll length, diameter,
surface properties, and frequency of rotation. We examine the influence of the length of each of the three roller
screen segments used to categorize undersized (< 8 mm), on-size (8-14 mm), and on-size (>14–18 mm) on the
loss of on-size pellets and discs return rate. We also examine the effects of pellet properties on roller screen
performance that include pellet adhesion/cohesion, shape, modulus, feed rate, particle size distribution, and
strength (by monitoring impact forces). We then describe the set of parameters that may optimize screen
performance by minimizing the discs return rate and contamination of on-size pellets.

219
 227: A hybrid pore network - LBM method for integrating flow of immiscible phases in
DEM.
Bruno Chareyre1, Eduard Puig-Montella1,2, Chao Yuan1, Antonio Gens2
1CNRS, Univ. Grenoble Alpes, Grenoble INP, 3SR lab, Grenoble, France
2Universitat Politècnica de Catalunya, Barcelona, Spain

Keywords capillarity, surface tension, drainage, simulation, pore scale, hydromechanical coupling
Abstract Simulating complex hydro-mechanical couplings in large grain-fluid systems is a great
challenge for the discrete element methods (DEM). For materials saturated by only one pore fluid,
recent advances in pore-scale methods (in which the porosity is discretized as a network of
connected pores [1]) enable the resolution of large coupled problems in three dimensions. These
methods can reflect the dominant viscous terms at the particle scale without actually solving a
Navier-Stokes problem [2]. The computational cost is thus reduced by orders of magnitudes, which
opens up more realistic simulations - as illustrated by a few recent examples.
In this presentation the following question is examined: can the pore-scale approach be extended to
multiple (two) immiscible pore fluids to simulate the so-called unsaturated materials?
Numerical models of partially saturated granular materials based on the DEM have been used
extensively, yet the majority of them are strongly limited to the so-called pendular regime in which
the wetting phase is present in such a little amount that it only forms pendular bridges associated to
pairs of particles. In the other saturation regimes one hardly avoid time consuming surface
minimization techniques or even the direct resolution of a 2-phase fluid dynamics problem at the
microscale to capture the geometry of phases and interfaces. The pore-scale approach of this
problem aims at a drastic decrease of this computational cost.
We show how the movements of the fluid phases and the fluid-solid interactions can be described
by introducing relevant geometrical objects in a tetrahedrized granular domain, together with
evolution laws. For a range of micro-scale processes this approach is successful and for instance, the
primary drainage of a saturated sample can be reproduced accurately[3]. Unfortunately, a number
of processes remain which still need significant efforts from both phenomenological and algorithmic
points of view, such as bubble entrapement, coalescence of wetting phases, or viscous effects
leading to mixed scenario of drainage-imbibition at the local scale.
A general framework is proposed in which the zoology of the pore-scale objects and their behavior
is improved with the help of direct simulations with the Lattice-Boltzman method (LBM). Domain
decomposition applied to a large granular specimen lets one identify relevant elementary units of
the micro-structure made of less than a dozen particles typically. The LBM responses of these
elementary units under particular boundary conditions are used to assemble a global two-phase
flow problem to be solved by a pore-network solver, in a multiscale coupling.
The numerical framework is evolutionary in the sense that the results it produces may help
developping progressively analytical relationships between the hydrostatic properties of the
elementary structures (such as the threshold values of capillary pressure for drainage/imbibition of
one pore) and their geometrical parameters. Ultimately, the LBM resolution may only be required
for a selection of subdomains where the process is too complex, while the evolution of the fluid
phases in the most conventional subdomains would be entirely governed by analytical laws.
[1] Chareyre, B., Cortis, A., Catalano, E., & Barthélemy, E. (2012). Pore-scale modeling of viscous flow and
induced forces in dense sphere packings. Transport in porous media, 94(2), 595-615.
[2] Marzougui, D., Chareyre, B., & Chauchat, J. (2015). Microscopic origins of shear stress in dense fluid–grain
mixtures. Granular Matter, 17(3), 297-309.
[3] Yuan, C., Chareyre, B., & Darve, F. (2015). Pore-scale simulations of drainage in granular materials: finite size
effects and the representative elementary volume. Advances in Water Resources.

220
 230: Network analysis of velocity fields in moving granular media
Robertas Navakas, Algis Džiugys, Edgaras Misiulis, Gediminas Skarbalius
Lithuanian Energy Institute, Kaunas, Lithuania
Keywords DEM, granular media, graph, network, community detection, algorithm, simulation
Abstract Discrete element modeling provides information about the states of individual particles of granular
media, such as positions, velocities, contact forces, etc. (microstate), while experiments and practical
applications involve the bulk parameters. Therefore, techniques and algorithms are needed to process the DEM
simulation data in order to derive the bulk behavior of granular media in the respective setups. Macroscopic
behavior of granular media arises from certain coordination of individual particles giving rise to emergence of
larger scale structures. An example of such structures are force chains that influence the bulk mechanical
properties of granular medium and phenomena therein, such as jamming. Similarly, the nature of granular flows
is influenced by emergence of particle groups moving in a coordinated manner. Collective and coordinated
motion of particles influence the macroscopically observed phenomena, such as hopper discharge, avalanches at
inclined surfaces and similar. Analysis of such phenomena benefits from detection of groups of particles moving
in a coordinated manner, having the data (velocities and positions) of individual particles obtained by DEM
simulations.
In this presentation, we propose the method for detection of particle groups involved in collective motion based
on network analysis. Knowing the positions and velocities of individual particles, a “velocity similarity graph” is
built, where the graph vertices represent the particles. The vertex pairs are connected by the edge if the distance
dij between the respective particles is small enough: dijr(ri+rj), where ri is the i-th particle radius, fr is a certain
selected factor. The edge weight is calculated to be inversely proportional to the difference in the respective
particle velocities, i.e., the vertex pairs representing nearby particles having similar velocities are connected by
edges of larger weight. It can be expected that the particle groups moving in a coordinated matter will have
similar velocities, therefore, the corresponding vertices in the graph will have stronger connections among them.
Having produced the velocity similarity graph, identification of particle groups becomes equivalent to the
problem of identification of vertex groups that are more tightly connected to each other, known as “community
detection” in graph analysis [1]. This problem is a topic of active ongoing research and a number of community
detection algorithms have been created. The techniques developed for graph analysis can be therefore applied
for analysis of granular media motion. A similar approach have been already applied for analysis of force chains
in stressed granular matter [2,3].
Using the above approach, we analyse the flow of granular media in a rotating drum (in the Figure, the velocity
fields are shown in granular media in the drum at two different time moments, as well as particle groups
detected by the described method; the group boundaries are shown in black contours). The relation between
the properties of groups of vertices identified in the graph and the mechanical phenomena in the underlying
granular states are analysed.

[1] S. Fortunato. Community detection in graphs. Physics Reports, V. 486, p. 75–140, 2010.
[2] R. Navakas, A. Džiugys, B. Peters. Application of graph community detection algorithms for identification of
force clusters in squeezed granular packs. 10th International Conference Modern Building Materials,
Structures and Techniques, pp. 980–983, 2010.
[3] D.S.Bassett et al. Extraction of force-chain network architecture in granular materials using community
detection. Soft Matter, V. 11, p. 2731–2744, 2015.

221
 231: Simulation of high resolution turbulent flow through accurate packed bed topology
using an immersed body FEMDEM/CFD coupled method
Jiansheng Xiang, Pan Yang, Ado Farsi, John-Paul Latham
Imperial College London, London, United Kingdom
Keywords Combined Finite-Discrete Element Method, Turbulent flow, Packed Bed
Abstract Flow in packed beds has been studied for many years as it is of fundamental importance to many
industries: chemical engineering, pharmaceuticals, metallurgical, and nuclear reactors, etc. Numerous models
have been developed to simulate the flow and transport in packed beds. Hu (Hu, 1996) applied a generalized
Galerkin finite element method based on moving unstructured grids and an arbitrary Lagrangian-Eulerian (ALE)
technique to simulate the interaction between particle and liquid. Glowinski et al., (2001) developed a ‘fictitious
domain’ method in which the whole is discretized into a fixed mesh, and a superimposed solid mesh locates the
particles. However, these models are limited to simulating laminar flow and originally included only
spherical/circular particles.
In this paper, we will present a new fluid-solid coupling method, the immersed body method, for simulating flow
and pressure drop in packed beds. In this method, a new Reynolds Averaged Navier Stokes (RANS) turbulence
model coupled with an immersed-body method is developed to model fluid-solid coupling for turbulent flows.
This model couples a combined finite-discrete element (FEMDEM) solid model and a finite element fluid model
with the often-used standard k − ε model. A thin shell mesh surrounding the solid surface is used as a delta
function to apply the interface boundary conditions for both the turbulence model and the momentum
equation. In order to reduce the computational cost, a log-law wall function is used in this thin shell to resolve
the flow near the boundary layer. Coupling between solids and fluids is realised using a dual mesh approach.
One mesh is used across the whole solution domain on which the fluids equations are solved and the second
mesh contains a finite element representation of the solid (particle packing) structures. Adaptive meshing
resolves down onto the complex geometry of the particles at the level of detail necessary, hence addressing one
of the main challenges –the accuracy of the flow field near the surfaces of the particles and container walls and
the capture of boundary layer effects. The forces and volume fraction from the FEMDEM structure model are
mapped onto the fluids mesh using Galerkin projection. A FEMDEM code, Solidity, is used to generate particle
packing for fixed beds (see Figure 1). The particle Reynolds number is varied from 4000 to 32000. The results are
in good agreement with the available experimental data. The methodology is applicable to the capture of
possible solid particle displacements. Such two-way coupled behaviour bears a significantly higher
computational expense than fixed bed systems.

Figure 1 Spherical particle packing (bottom) and axial packing density (top)
[1] Glowinski, R., Pan, T. W., Hesla, T. I., Joseph, D. D., Periaux, J., 2001, A fictitious domain approach to the
direct numerical simulation of incompressible viscous flow past moving rigid bodies: application to
particulate flow, Journal of Computational Physics, v169, n2, p363-426.
[2] Hu, H. H., 1996, Direct simulation of flows of solid-liquid mixtures, International Journal of Multiphase Flow,
v22, n 2, p335-352

222
 232: dp3D: a DEM code dedicated to materials science
Christophe Martin1, Rajendra Bordia2, Reid Carazzone3, Zachary Cordero3, Paul Parant4, Sébastien Picart4
1Univ.
Grenoble Alpes, CNRS, SIMaP, Grenoble, France
2Clemson
University, Dept. of Mat. Sci. and Eng., Clemson, USA
3Rice University, Materials Science and NanoEngineering, Rice, USA
4CEA, Nuclear Energy Division, Research Department of Mining and Fuel Recycling ProCesses, Bagnols-sur-Cèze,

France
Keywords
materials science, DEM, sintering, compaction, composites
Abstract
Materials for engineering applications often exhibit a discrete nature. Metallic, ceramic, and polymer powders
offer an obvious example. Powders are the initial form of many materials and are very frequently the unique
route to process materials such as ceramics, composites, and nanostructured alloys. Even if the material exhibits
a continuous nature, its processing or its operating behavior may trigger a discrete response. For example, a
dense brittle ceramic may be submitted to a thermal shock that will cause nucleation and growth of multiple
cracks, thus revealing some discrete microstructure. dp3D is an in-house DEM code that has been developed
now for more than 15 years at SIMaP laboratory to model those engineering materials. Specific interaction laws
have been implemented to tackle materials science applications. Powder compaction, with particular attention
for submicronic powders and plasticity, has been investigated. High temperature processing such as sintering
requires specialized interactions that are available in dp3D. In all cases, the focus is to allow the user to enter
directly properties that are characteristic of the material to process (elastic properties, surface energy, yield
stress, diffusion coefficients, …) instead of calibrated stiffness or damping coefficients. Fracture of porous
materials or of dense materials may also be treated. In this contribution, we review these possibilities through
some examples. In particular, in the context of materials science investigations the coupling of X-ray tomography
images and dp3D is considered. We also discuss the use and the development of the dp3D code.

Two examples of materials science applications with dp3D: a) Sintering of a porous electrode
imaged from X-ray tomography. b) Crushing of two dissimilar spheres and the c) corresponding SEM
experiment.

223
 233: Particulate system simulations using FDEM
John-Paul Latham, Edward Clark, Ado Farsi, Jiansheng Xiang

Imperial College London, London, United Kingdom

Keywords Blockiness, shape descriptor, packing, granular

Abstract Geomaterials particulates, whether natural deposits, extracted and comminuted mineral
fragments or materials used in construction such as larger aggregates, rockfill and rock blocks for
armouring coastal structures, exhibit granular behaviour that is in part dependent on particle shape.
If their granular behaviour is to be simulated, shape descriptors that take some account of their
particle shape may be required. With the revolution in real shape capture through X-Ray CT imaging
of bounding surface coordinates, 3D photography, big data processing and discrete particle
modelling capability, it is timely to revisit the parametric characterisation of particle shape in the
context of simulation. Popular descriptors of geological grains have historically included aspect
ratio, sphericity and Krumbein’s roundness. With modern technology, digitally represented and
triangular meshed particle surfaces provide an opportunity to reconsider the most effective
combinations of shape descriptors for use with DEM and FEMDEM simulation.

In this work we report on the potential of a Blockiness parameter, BLc (Fig. 1) currently used in
characterising rock armourstone used in coast protection structures. Blockiness, BLc is simply given
by the percentage of the minimum bounding box volume (XYZ) that is occupied by the particle. A
readily executable brute force bounding box algorithm is described that is computed ‘on the fly’
along with other shape descriptors, for each new particle added to a digital shape library of
polyhedral grain shapes (Latham et al., 2008).

Fig. 1 Blockiness BLc of 80%, 60% and 40%

In this work we use the FEMDEM code, Solidity to investigate the circumstances in which a mono-
size mono-shape assembly of rock pieces tends towards a higher or a lower packing density as a
function of BLc and the role of additional independent shape descriptors such as aspect ratio. As
cubes will readily tessellate and fill space with low or zero void space, especially if vibro-compacted
and if friction is low, greater frequency of face-to-face contacts and consequently greater packing
density might be expected in higher Blockiness particulates. The paper will discuss packing density
results for a suite of rock fragment shapes.
Latham, J. -P., Munjiza, A., Garcia, X., Xiang, J., & Guises, R. (2008). Three-dimensional particle shape
acquisition and use of shape library for DEM and FEM/DEM simulation. Minerals Engineering,
21(11), 797-805. doi:10.1016/j.mineng.2008.05.015

224
234: A guideline for quick LBM-DEM simulations
Geng Chao Yang1, Lu Jing1, Chung Yee Kwok1, Yuri Sobral2
1Department of Civil Engineering, The University of Hong Kong, Hong Kong, Hong Kong.
2Departamento de Matemática, Universidade de Brasília, Brasília, Brazil
Keywords Fluid-particle simulation, granular collapse, LBM-DEM
Abstract A systematic study is carried out on a fully resolved fluid-particle model which couples the
Lattice Boltzmann Method (LBM) and the Discrete Element Method (DEM) using an immersed
moving boundary technique to understand the roles of major numerical parameters (resolution N
and relaxation time τ) in terms of accuracy, stability and efficiency. A series of benchmark cases with
a wide range of Reynolds number are performed, starting from a single stationary particle to
multiple moving particles. It is found that for flows with low and intermediate Reynolds numbers, 20
fluid cells per one particle diameter are necessary to achieve sufficient accuracy. For flows with high
Reynolds numbers, a turbulence model shall be incorporated to capture the effects of unresolved
small eddies. Besides, the LBM-DEM results are also sensitive to τ, especially when N is inadequate.
A large τ value introduces additional diffusion of fluid momentum and weakens the fluid-particle
coupling. By choosing a small relaxation time greater than the lower limit 0.5, a small fluid
compressibility error and a strong coupling between the fluid and particles can be achieved, at the
cost of higher computational effort. A guideline for quickly establishing a high-quality LBM-DEM
model is provided and applied to a test case of granular collapse in water. The agreement between
the simulation and the companion experiment (see Figure 1) demonstrates the capability of LBM-
DEM to describe the dynamics of dense particle suspensions, which highlights its potential to study
the granular physics in large-scale geophysical flows.

Figure 1 (a-c) Snapshots of the immersed granular column collapse in the experiments at time = 0.2
s, 0.3 s, and 0.4 s, respectively. The green lines depict the free-surface of the granular flow; (d-f)
Comparison of the granular flow free-surface between the experiment and the LBM-DEM simulation
at time = 0.2 s, 0.3 s, and 0.4 s, respectively.

225
 235: ESyS-Particle and GenGeo: open source libraries for high performance DEM
simulations
Dion Weatherley1, Steffen Abe2
1The University of Queensland, Brisbane, Australia
2Institute for Geothermal Resource Management, Bingen, Germany

Keywords Discrete Element Method, High Performance Computing, Open Source

Abstract ESyS-Particle (https://launchpad.net/esys-particle) is an open source implementation of the
Discrete Element Method (DEM) designed for execution on parallel supercomputers. It comprises a
computational engine written in C++ with a Python scripting interface for definition of simulations. Spatial
subdomain decomposition implemented using the Message Passing Interface (MPI) standards permits
very large-scale DEM simulations, depending upon available hardware resources. The regular grid
topology of the subdomain decomposition ensures that the per-worker communication cost remains
constant if the total model size is scaled up in line with the number of subdomains. As a result, scaling
benchamrks demonstrate the weak scalability of the engine for simulations comprising up to 300 million
discrete elements, utilising over 32,000 CPU cores.
ESyS-Particle is packaged with a range of common particle interaction types including linear elastic,
Hertzian and viscous interactions. Kinematic objects such as planar walls or triangulated mesh surfaces
can be imported into simulations for interaction with the discrete elements. One of ESyS-Particle's key
features is its rotational brittle-elastic beam and frictional interaction classes, designed for accurate
simulations of rock fracture, crack propagation and fragmentation. These interaction classes have
undergone extensive validation and demontrated to reproduce the bulk of phenomenology predicted by
linear elastic fracture mechanics.
A bespoke data output framework permits targetted output of specific dynamical fields or attributes, as
well as checkpoint-restart facilities. Post-processing tools are also provided for three-dimensional data
visualisation using third-party software, as well as analysis of fracture evolution and fragmentation
products. Recent versions of ESyS-Particle have incorporated coupled fluid-DEM simulation capabilities, as
well as self-gravity. Coupling is implemented so as to exploit the subdomain parallelism of the DEM
engine, thus permitting simulation of large-scale problems without the typical communication bottlenecks
encountered when coupling existing CFD and DEM softwares via a serial interface.
GenGeo is an open source library designed for algorithmic construction of assemblies of spherical
particles to be used as initial model set-ups for Discrete Element Method (DEM) simulations. At its core is
a volume-filling sphere packing algorithm implemented in C++. Via a Python scripting interface, users
specify a spatial volume to be filled with non-overlapping spheres and the range of sphere radii. The
algorithm then iteratively identifies locations to insert spheres between already inserted spheres,
constraint surfaces and volume boundaries. Once constructed, a variety of methods provide capacity to
define different groups of particles via tags, bond together particles and output the geometry in a human-
readable text file format.
A range of primitive volumes such as cubes, spheres and cylinders, are included with the GenGeo library,
as well as methods to define more complex shapes via closed triangulated meshes. Such meshes can be
constructed in Computer-Aided Drafting packages and imported into GenGeo in the Stereolithography
(.STL) file format. Although maintained via the ESyS-Particle software repository
(https://launchpad.net/esys-particle), GenGeo is a standalone library that may be beneficial for users of
other DEM simulation software. The high-level abstraction of GenGeo's class structure makes it relatively
easy to use and complete Python API documentation is available online.

226
 236: 3D DEM modelling of drained triaxial tests using real-shaped particles
Ying Xu HUO1, Yat Fai Leung1, Chung Yee Kwok2
1
Department of Civil and Environmental Engineering, The Hong Kong Polytechnic
University, Hong Kong
2
Department of Civil and Environmental Engineering, The University of Hong Kong, Hong
Kong
Keywords
Particle shape, shape parameters, Toyoura sand, Hertz model, triaxial test
Abstract
A 3D DEM study of Toyoura sand specimen was carried out to simulate drained triaxial
tests and to study the effects of particle shape on the macroscopic mechanical behavior.
Grains of the numerical assembly in this study follow real size distributions of Toyoura
sands. Particle shape was reconstructed from μCT images of sands, whose 3D shape
parameters (aspect ratio, roundness, sphericity and convexity) were calculated and
compared against published sources. The number of shapes required to converge to a
stable cumulative distribution of shape parameters was also examined, implying that
replication of the particles was sufficient to describe the shape characters and to
represent an assembly of Toyoura sand. Drained triaxial tests were modelled in 3D with
carefully chosen Hertz model parameters which are physically rational. Numerical and
experimental results were compared. Modelling with particle shape can significantly
enhance shear strength compared against spherical grains, but packing density is difficult
to match. Besides, this study can be a good reference for calibrating parameters in a
proper sequence.

227
 237: A feasibility study for the effect of the amount of laundry and rotating speed of
washer on washing performance of front-loading washer using DEM
Jinsu Nam, Jaehee Lyu, Junyoung Park
Kumoh National Institute of Technology, Gumi, Korea, Republic of
Keywords
DEM, Front-loading washer, washing performance, specific power
Abstract
Although computational analysis has been applied to a variety of industrial fields in recent
years, there are just a few approaches for washing machines in home appliance field. The
lack of analytical research on the washing machine results from the washing performance
dependency on quite a lot of parameters, such as the geometrical/physical properties (the
size, the amount and the type of laundry), the mechanical action (hitting and rubbing),
water temperature, the chemical action (the amount and type of detergent) and washing
time. Due to the complex factors, up to now, research on washing performance has been
mainly experimental rather than analytical. However, experimental studies have
limitations in understanding the behavior and washing process of the laundry inside the
washing machine.

As the geometric structure and the working mechanism of washing machine is quite
similar with them of ball mill, in this study, the mechanical action is analyzed by DEM,
usually adopted in the computational analysis for ball mill. In order to avoid the complex
effects such as water flow and chemical action by detergent, a front-loading washing
machine with low water supply is targeted. Therefore, the simulation was carried out
under the condition without water and detergent. As a feasibility test, we used laundry
balls with spherical shape rather than real fabrics. In this study, the effect of the amount
of laundry and the rotating speed of washer on the washing performance is analyzed
under the above conditions.

Because it is impossible to directly express the "washing performance" indicating the

degree of removal of contaminants using the DEM, washing performance is defined as
specific power (the consumped power per unit mass). In addition, the specific power can
be categorized into normal contact and tangential contact, corresponding to hitting and
rubbing, respectively. The results show washing performance are inversely proportional to
amount of laundry and rotating speed of washer

This research was supported by the Basic Science Research Program through the National
Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and
Technology (NRF-2018R1A2B 2004207)

228
 238: Analysis of effects of structural characteristics on grain breakage with DEM
Quanshui Huang, Wei Zhou, Gang Ma
State Key Laboratory of Water Resources and Hydropower Engineering Science, Wuhan
University, Wuhan, China
Keywords
Discrete Element Method, Grain breakage, Structural characteristics, Weibull statistics,
Disorder
Abstract
The mechanical properties of most granular materials cannot be uniquely
determined. A major cause of this indeterminacy lies in the fact that their structural
characteristics are difficult to determine under the condition of varying porosity and
porous textures, which tend to reduce the overall connectivity of the solid phase at
random. Grain breakage is a critical aspect of mechanical properties of solid materials,
especially for geomaterials. In the present study, The simulation of the single grain
crushing test were performed employing Discrete Element Method (DEM), in which the
grain was modeled in the form of an agglomerate of elementary balls with removable
bonds. A novel method was proposed to generate numerous crushable agglomerates with
various micro-structures. Variation in the grain crushing strength were depicted by the
Weibull statistics. In addition, the relationship between fracture and fragmentation
patterns and structural disorder was investigated to explore the cracking mechanism
related to brittle porous media. These findings add to the understanding of the influence
of structural disorder over the mechanical properties of granular matter.

229
239: GrainLearning: an efficient Bayesian uncertainty quantification framework for discrete
element simulations of granular materials
Hongyang Cheng1, Takayuki Shuku2, Klaus Thoeni3, Thomas Weinhart1, Stefan Luding1
1
University of Twente, Enschede, Netherlands
2
Okayama University, Okayama, Japan
3
The University of Newcastle, Callaghan, Australia
Keywords
Sequential Monte Carlo, Machine learning, Dirichlet process mixture, DEM
Abstract
The nonlinear, history-dependent macroscopic behavior of a granular material is rooted in
the micromechanics between constituent particles and the irreversible change in the
microstructure. The discrete element method (DEM) can predict the evolution of the
microstructure resulting from interparticle interactions. However, micromechanical
parameters at contact and particle levels are generally unknown because of the diversity
of granular materials with respect to their surfaces, shapes, disorder and anisotropy.

GrainLearning, a Bayesian filtering framework specially developed for DEM simulations of

granular materials can iteratively explore parameter/solution space conditioned on
experimental data, and efficiently quantify and propagate posterior uncertainties. It
utilizes Bayesian nonparametric density estimation to iteratively refine the proposal
density, thus enabling an efficient multi-level sampling for global optima.

As an example, the probability distribution of the micromechanical parameters,

conditioned on the experimental measurements of granular flow, is approximated, with
rapid convergence within a few iterations. Six micromechanical parameters, i.e., contact-
level Young's modulus, restitution coefficients, interparticle friction, rolling stiffness and
rolling friction, are chosen as relevant for the macroscopic behavior. The a posteriori
expectation of each micromechanical parameter converges within a few iterations,
leading to an excellent agreement between the experimental data and the numerical
predictions. As new result, the proposed framework provides a deeper understanding of
the correlations among micromechanical parameters and between the micro- and macro-
parameters/quantities of interest, including their uncertainties. Therefore, the iterative
Bayesian filtering framework has a great potential for quantifying parameter uncertainties
and their propagation across various scales in granular materials.

230
 240: A comparative study between two first order accurate meshless Lagrangian fluid
solvers coupled with granular solids for GP-GPU computing
Johannes Joubert1,2, Nicolin Govender3, Nico Wilke1, Patrick Pizette2, Ugur Tuzun4, Nor-
Edine Abriak2
1
University of Pretoria, Pretoria, South Africa
2
IMT Lille-Douai, Douai, France
3
University of Surrey, Surrey, United Kingdom
4
University of Cambridge, Cambridge, United Kingdom
Keywords
SPH,DEM,Finite Difference,Solid-Fluid Coupling,First order,Meshless
Abstract
A framework is presented for simulation of multi-phase system by expanding upon
classical meshless Lagrangian methods (MLM). Specifically, this framework focuses on
systems with granular particles suspended in a fluid continuum with coupling enforced by
a force balance obtained from fully resolving fluid flow around the solids.

Beyond the obvious benefits of higher order discretizations in a computational fluid

dynamics setting, in the context of solid-fluid coupling applications, accurate gradient
information is required for two critical aspects of the proposed scheme: 1) Accurately
resolving flow around solid surface, specifically for the case of fluid pressures around solid
particles and 2) obtaining fluid-solid coupling forcing conditions by making use of surface
pressures and shears. Due to the importance of accurate gradient information, it is
chosen to use a first order consistent variation of smoothed particle hydrodynamics (SPH)
as the reference MLM. The performance of the SPH method is compared against a first
order generalised finite difference method (GFD). The discrete element method (DEM) is
used to handle solid-solid interactions.

The above mentioned framework is used to explore the performance of the different
MLMs at varying system scales by applying these methods to a 3D hindered particle
settling problems. The systems are scaled in terms of the number of solid particles ranging
from order ~1 to ~100. The number of fluid particles are also scaled independently by
considering different fluid particle resolution for these systems. Different initial solid
particle packing densities are investigated as well.

General purpose GPU (GP-GPU) implementations of the MLMs are compared inside the
same computational framework by extending the DEM framework Blaze-DEM, with the
study specifically investigating the performance of these solvers running on GTX 1080,
GTX 1080 Ti and RTX 2080 Ti cards.

231
241: A probability-based model for quantification of particle crushing of granular materials
based on DEM simulation data
Zhuang Cheng, Jianfeng Wang
City University of Hong Kong, Hong Kong, China
Keywords
Probability-based model; Particle crushing; Grading evolution; Biaxial shearing;
Abstract
The breakage behavior of granular materials under loading is essentially governed by their
strengths and inter- and intra-particle stresses. To investigate the evolution of inter- and
intra-particle stresses of granular materials under shearing, a series of discrete element
method (DEM) simulations of biaxial testes are carried out. It is found that the probability
density functions (PDF) of particle normalized maximum shear stress are independent of
initial sample porosities, confining stresses and axial strains, but rely on the current
sample grading. Based on these results, a probability-based model is developed to
quantify particle crushing of granular materials under shearing according to a group of
initial parameters, including initial sample porosity, initial sample grading, confining stress,
stress ratio and particle strength parameters. The strength of the model is the
incorporation of coupling effects between particle crushing and sample grading into the
calculation. Here, the coupling effects mean that particle crushing is affected by the
current sample grading, and the grading change is also dependent on the current particle
crushing extent. The model shows qualitative agreement with published experimental
data. The effects of the model parameters, including initial porosity, particle strength,
initial grading, and crushing mode, on the calculated results are discussed and compared
with previous studies.

232
 242: Numerical Analysis of Degradation Evolution of Structural Loess under Loading and
Wetting by Discrete Element Method
Mingjing Jiang1,2, Guowen Lu1, Tao Li1, Ruohan Sun1
1
Tianjin University, Tianjin, China. 2Tongji University, Shanghai, China
Keywords
unsaturated structural loess, microscopic theory, degradation evolution, DEM
Abstract
The degradation evolution of unsaturated structural loess under loading and wetting is
studied by discrete element method (DEM).Firstly, the equation of degradation
parameter, which is used to describe the degradation for structural damage, is given
based on particle contact and microscopic deformation. Secondly, the evolution of
degradation with macro variables under different loading conditions is investgated by
DEM. Finally, based on the simulation results, the equivalent plastic strain coefficient (the
ratio of equivalent plastic strain to the structural yield stress) is defined to reasonably
consider the influence of water content, and the equation for degradation parameter
under different stress and wetting paths is established.The results show that the proposed
degradation equation can well describe the degradation evolution of structural loess
observed in the loading and wetting conditions.

233
 243: A Three-dimensional thermal-hydro-mechanical-chemical Bond Contact Model for
Methane Hydrate-bearing Sediments
Mingjing Jiang1,2, Ruohan Sun1, Tao Li1, Wenhao Du2
1
Tianjin University, Tianjin, China
2
Tongji University, Shanghai, China
Keywords
Methane hydrate-bearing sediment,DEM,THMC bond contact model,Mechanical behavior
Abstract
Mechanical properties of methane hydrate-bearing sediments(MHBS) are complex and
highly influenced by the surrounding temperature, pore pressure, and salinity. Studies of
such influences re of great significance for the safe exploration of methane hydrate. In this
paper, we propped a three-dimensional (3D) bond contact model, incorporating the
effects of temperature, pore pressure, and salinity. The model is then implemented in
DEM code with thermal–hydro–mechanical-chemical (THMC) analysis being realized. The
mechanical behavior of MHBS is investigated through DEM analysis. The analysis is carried
out on a series of triaxial tests with various MH saturations and effective confining
pressures. A comparison with experimental results reveal that the proposed contact
model is able to capture some salient properties of MHBS, such as effects of hydrate
saturation, environmental temperature and pressure. The numerical results show that:
the shear strength and secant modulus increase as methane hydrate saturation or
environmental pressure increase, while decrease as environmental temperature
increases, which is in good agreement with the experimental observation.

234
 244: Micromechanical study on the compression behaviour of sand-rubber particle
mixtures considering grain-scale deformability
Mohsen Asadi1, Klaus Thoeni2, Ahmad Mahboubi1
1
Department of Civil, Water and Environmental Engineering, Shahid Beheshti University
(SBU), Tehran, Iran, Islamic Republic of
2
Centre for Geotechnical Science and Engineering, University of Newcastle, Callaghan,
Australia
Keywords
DEM, Deformable particle, Soft-rigid contact, Grain shape, Particle-scale behaviour, YADE
Abstract
Sand-rubber particle mixtures generally have favourable engineering properties such as
high permeability, high endurance, appropriate strength, appropriate stiffness, and high
damping characteristics. These properties have mainly been investigated by experimental
testing. Only recently, numerical models have been used to study the mechanical
behaviour of sand-rubber particle mixtures. The heterogeneous nature of such mixtures,
the big difference between the mechanical properties of the two materials and the very
specific shapes of the rubber particles lead to a behaviour that is hard to predict by
continuum methods such as Finite Element Method. Nevertheless, the Discrete Element
Method (DEM) is able to capture all these characteristics.

In this paper, we present simulations of systematic confined compression tests on sand-

rubber particle mixtures with varying rubber content using the DEM. The sand grains are
modelled by using the clump logic in order to accurately represent their shape. The
rubber particles are modelled using a cohesive bond model which allows to take into
account grain-scale deformability, i.e., the spheres making up the rubber particles can
move relative to each other. The simulations are calibrated and validated by
systematically carried out experimental tests.

Macro and micro investigations of the sand-rubber particle mixtures with different rubber
contents are presented. The variation of the normal force on the wall shows that the total
lateral force decreases by increasing rubber content. The micromechanical investigations
include coordination number, force chains and contact orientation histogram. The
numerical predictions indicate that the coordination number increases significantly with
increasing rubber content since the rubber particulate deform leading to larger number of
contacts. The force chain and the contact orientation histogram are presented for the
sand-sand contacts, sand-rubber contacts and rubber-rubber contacts separately to find
the contribution of each contact type to the loading. The results show that for a rubber
content of less than 20% the samples exhibit sandy behaviour and for rubber contents
larger than 60% the behaviour is very similar to the one of pure rubber particle samples.

235
 245: Experimental and numerical studies of semi-confined heap structure after variable
pouring conditions

Julien lehuen1, Jean-Yves Delenne1, Abdelkrim Sadoudi1, Denis Cassan1, Veronique Planchot1, Thierry Ruiz2, Agnès Duri1
1INRA (National Institute of Agricultural Research), Montpellier, France
2QualiSud, Montpellier, France

Keywords

coarse-graining, ensiled granular medium, forces network, homemade code, Janssen effect

Abstract

The classic experience of filling a container with a granular medium poured from a source point reveals the presence of the
intergranular forces network by the manifestation of the Janssen effect (Janssen, 1895). Indeed, the measurement of the stress
applied at the base of the container according to the bed particle height, shows that the static mechanical state of the ensiled
granular medium is not comparable to a hydrostatic one which is characteristic of a fluid. The lateral deflection of gravity forces
to the walls via the network of intergranular contacts, allows to explain the lowering of vertical stress (σzz) in relation to
hydrostatic pressure. Moreover, the sliding threshold condition must be established at the walls to explain the "saturant" shape
of the σzz profile (Ovarlez and Clément, 2005). If mechanical properties are involved to explain this apparent
phenomenon understanding as a static equilibrium, the analyze of the free surface during pouring correlated to the local
mechanical state allow to indicate that kinetic energy had an influence on the Janssen effect (Mandato et al. 2012; Duri et al.
2018). In order to revisit the Janssen effect, experiments and Discrete Element Method (DEM) simulations are compared to
investigate the structure of an ensiled granular medium poured in a cell by a single point at different initial drop heights and flow
rate (parameters which allow to control kinetic energy).
Experimental device. The granular medium consists of a population of glass beads of 1 to 2 mm diameter with a small span value
(50/50 in volume). The experimental set-up, developed in Mandato et al. (2012), consists of an open glass cell container (51 x
100 x 160 mm) made of transparent glass walls. A flat and rectangular steel probe is especially designed to fit into the glass
container. A small probe allows local measurements of the vertical stress in the powder bed. A large probe is used to simulate
the bottom of the cell and allows a global measurement of the vertical stress, as in Janssen’s experiment (Janssen, 1895).
Whatever its width, the probe is screwed on a rod that is linked to a load cell of a texture analyser (TA.XT2, Table Micro System),
which is used as a force sensor. The filling is provided by a funnel and the flow rate is modulated by the output diameter. After
pouring, the slope angle and the arrow of the free surface are measured by image analysis.
Numerical simulation. We develop our own homemade code in c++using the DEM. Then we decide to develop also a code using
the coarse-graining method (Weinhart and Luding, 2016) to highlight on the different fields. This last method which doesn’t give
access to the compactness near the wall, is replaced by a new method using two grids in order to increase the accurate. With
these three codes we can now explore all the contacts between the particles by the calculus of (i) normal and tangential forces,
(ii) moment, (iii) mobility, of each particle.
Results. The variation of the initial drop height and the flow rate impacts the slope of the free surface: crater form in high kinetic
energy conditions, heap form in lowest conditions and intermediary slopes between these conditions (from plate to “camel-like”
form). The measured and calculated values of the arrow and of the angle of repose are in very good agreement in each case.
Experiments and numerical simulation highlight the same layout of the vertical stress field (Fig. 1). In the upper part of the
particle bed, there is a layer in which the stress is generally assimilated to a “quasi-hydrostatic” state. It can be seen that under
this first layer, Janssen’s hypothesis that stresses are lateral uniformity is not valid: there is a strong local heterogeneity of the
stress within the granular medium. It can be seen that the redirection coefficient defined by Janssen (Janssen, 1985) ratio
between lateral stress and vertical stress, is not constant. The study of thickness and mean stress in each different zone of the
bed versus kinetic energy during the filling stage had been realized. The static mechanical state of the particle bed is also due to
this dynamical parameter and this point is usually not taking into account.

236
 246: Modelling flexible structures and deformable particles with YADE
Klaus Thoeni
Centre for Geotechnical Science and Engineering, University of Newcastle, Callaghan, Australia
Keywords DEM, cohesive contact, remote interaction, grid, membrane, geosynthetic,rubber particle
Abstract YADE is a very popular open-source DEM package based on the classical discrete element
method. Over the last decade it has been extended with many new features including the possibility
of modelling flexible structures and deformable particles. This contribution presents some of these
developments including examples and applications.
The first feature consists of a remote interaction model where particles interact without actually
being in contact. The contact model is rather simple and only tensile forces are allowed. This allows
the modelling of complex structures which are highly flexible such as textiles (Cheng et al. 2016) and
wire meshes (Thoeni et al. 2013).
Then a general framework for modelling deformable structures using the concept of Minkowski
sums is introduced. The formulation is based on three primitives (Effeindzourou et al. 2016): sphere,
rounded cylinder, described as a Minkowski sum of a line segment and a sphere, and thick rounded
facet (PFacet), described as a Minkowski sum of a faced and a sphere. The concept of a virtual
sphere is introduced to handle all possible contacts. As such, all contacts can be handled as sphere-
sphere contacts and classical contact laws can be used. The constitutive behaviour of the rounded
cylinders and PFacets are based on classical beam theory. They can be connected to form complex
structures. Some examples on how to model soil-inclusion problems (Thoeni et al. 2016) and
composite structures (Effeindzourou et al. 2017) are shown.
Finally, different approaches for modelling deformable particles are presented. In the classical
approach particles are glued together using a cohesive link. This is similar to the previously
described approaches. An example on how this approach is used for the modelling of sand-rubber
particle mixtures is presented (Asadi et al. 2018). Then the approach implemented in the
deformation engine is discussed. In this approach, particles are actually not deformed but the
deformation is realised by expanding the radius of the spherical particles as a function of the
overlap, so that the volume of the material is kept constant (Haustein et al. 2017).
References:
Asadi, M., Mahboubi, A., Thoeni, K.: Discrete modeling of sand-tire mixture considering grain-scale
deformability, Granular Matter 20, 18, 2018
Cheng, H., Yamamoto, H., Thoeni, K.: Numerical study on stress states and fabric anisotropies in
soilbags using the DEM, Computers and Geotechnics 76, 170–183, 2016
Effeindzourou, A., Chareyre, B., Thoeni, K., Giacomini, A., Kneib, F.: Modelling of deformable
structures in the general framework of the discrete element method, Geotextiles and
Geomembranes 44(2), 143–156, 2016
Effeindzourou, A., Thoeni, K., Giacomini, A., Wendeler, C.: Efficient discrete modelling of composite
structures for rockfall protection, Computers and Geotechnics 87, 99–114, 2017
Haustein, M., Gladkyy, A., Schwarze, R.: Discrete element modeling of deformable particles in YADE,
SoftwareX 6, 118–123, 2017
Thoeni, K., Effeindzourou, A., Chareyre, B., Giacomini, A.: Discrete modelling of soil-inclusion
problems, Applied Mechanics and Materials 846, 397–402, 2016
Thoeni, K., Lambert, C., Giacomini, A., Sloan, S.W.: Discrete modelling of hexagonal wire meshes
with a stochastically distorted contact model, Computers and Geotechnics 49, 158–169, 2013

237
 247: Effect of Gas Flow on Trajectories of Granular Flow Streams during Charging Process
Yinxuan Qiu1,2, Zongyan Zhou1,2, David Pinson3,4, Sheng Chew3,4
1
Monash University, Melbourne, Australia
2
ARC Research Hub for Australian Steel Manufacturing, Melbourne, Australia
3
BlueScope Ltd, Port Kembla, Australia
4
ARC Research Hub for Australian Steel Manufacturing, Port Kembla, Australia
Keywords
Gas effect; Granular flow stream; Particle trajectory; CFD-DEM
Abstract
Charging and discharging processes of granular materials are widely observed throughout
industries varying from pharmaceutical to mineral. The dynamic process of granular flow
behaviors is complex and has been extensively studied in the literature experimentally or
mathematically. However, the effect of resistance from fluid on granular flow streams is
not well investigated. For example, in an ironmaking blast furnace burden distribution
system, particles discharged from the top hopper will flow through a rotating chute and
distribute particles to the blast furnace top burden surface. In such a process, the particle
trajectory from the chute tip is very important in affecting the falling position and
determining the ratio of different kinds of particle matters across the radius. The
resistance for fluid could play an important role. In this work, the CFD-DEM method was
employed to investigate the trajectories of granular materials under different conditions.
We started with mono-sized particles and then extended to binary and continuous multi-
sized systems. The results show that granular materials with varying properties in
trajectory are prone to segregate spatially. It can be proved that the flow trajectory is
significantly influenced by the gas flow, chute angle and material properties. Small size
particles are much easier to be influenced by gas flow than large particles. At a critical
condition of particle size, the gas flow significantly changes the particle trajectory, and the
higher the gas velocity is, the stronger the resistant effect the gas flow has on particles.
Moreover, the gas flow changes the particle stream impact area when the particles falling
down to the ground surface. The CFD-DEM simulation results, which had a good
agreement with the experiment data, suggest that the coupled CFD-DEM could be used to
predict the granular trajectory under the gas flow.

238
 248: Fluctuating stresses and the intrinsic viscosity of colloidal suspensions
Wouter den Otter, Duraivelan Palanisamy
University of Twente, Enschede, Netherlands
Keywords
colloids, Brownian Dynamics, viscosity, hydrodynamic interactions, suspension, solid-
liquid, multiphase flow
Abstract
Brownian Dynamics is a standard tool to study colloidal suspensions in the Stokesian flow
regime. The solvent is treated implicitly, as the source of both hydrodynamic friction and
stochastic forces obeying the fluctuation-dissipation theorem. Even though this formalism
has been used extensively, and forms the basis of many theoretical studies on colloids, we
show that it does not predict the correct intrinsic viscosity. A straight forward Green-Kubo
calculation of the intrinsic viscosity of a quiescent dilute solution of spherical particles
yields the surprising result [η] = 0, in marked contrast to Einstein's well-known [η] = 5/2.
We propose a remedy to this problem, by introducing an extended fluctuation-dissipation
theorem including Brownian stresses. Evaluating the correlations between these stresses
and the Brownian forces gives rise to a further unexpected stress contribution. Using a
recently developed rotational Brownian dynamics scheme, we also present a numerical
rheology study confirming the validity of the proposed modifications to the Brownian
formalism. We show that agreement is restored between the viscosities of quiescent and
slowly sheared colloidal suspensions, for a range of body shapes, and that the linear
rheology extracted from Brownian simulations now agrees with previous theories.

239
 249: Development of GPU-based DEM and CFD-DEM coupling for particulate systems
Yi He, Ali Hassanpour, Andrew Bayly
University of Leeds, Leeds, United Kingdom
Keywords
GPU, DEM, CFD-DEM, particle-fluid flows
Abstract
Discrete element modelling (DEM) has become an important tool to understand the
dynamics of particulate systems, as it provides detailed information at particle scale which
is often difficult to obtain by conventional experimental techniques. DEM has also been
coupled with CFD methods to model various aspects of particle-fluid flows. However,
application of these methods to industrial process is largely hindered due to associated
high computational cost and limited modelling capabilities. For example, particles in real
processes are often featured with a wide variation in particle size and non-spherical
particle shape, which requires an efficient handling of neighbor searching and
representation of particle shape in the DEM solver. In addition, the complexity of fluid
flows and geometrical complexity of the computational domains further make it difficult
to rely on one single CFD method to handle all aspects of the particle-fluid flows. It is thus
necessary to develop an efficient DEM solver and versatile coupling methods to handle
different problems encountered in industrial applications. In this work, an overview of our
development on GPU-based DEM and coupled CFD-DEM approaches is presented,
including GPU-based DEM for large size ratio and non-spherical particles, GPU-based SPH-
DEM coupling, coupling of ANSYS/Fluent with GPU-based DEM and coupling between LBM
with DEM.

For GPU-based DEM, a multi-grid approach specifically designed within the GPU
architecture is proposed for particle neighbor searching, which demonstrates significant
gain in computational efficiency than conventional linked-cell method. For non-spherical
particles, particle shape is approximated by a multi-sphere approach in which overlapping
spheres are rigidly connected together. The GPU-based algorithm is able to handle
variations in both particle size and shape. For particle-fluid flows with free surfaces, a
general purposed SPH-DEM model that runs entirely on GPU is developed. The GPU-based
DEM is also combined with a commercial software ANSYS/Fluent to make the best use of
the parallel capability of GPU for DEM calculation and the general applicability of
commercial software for CFD calculation. Some preliminary works has also been done to
develop GPU-based LBM and its coupling with GPU-based DEM, allowing us to carry out
both resolved and unresolved particles simulations. All the developed models have been
carefully validated against literature results. Applications of these methods have been
demonstrated through a range of simulations, including particle packing, compaction,
powder spreading, fluidization, dam-breaking, gas-solid cyclone and agitated chemical
reactors.

240
 250: Advances in Discrete Element Modelling using the GPU based XPS Software
Hermann Kureck1, Nicolin Govender2,1, Johannes Khinast3,1
1
Research Center Pharmaceutical Engineering GmbH, Graz, Austria
2
University of Surrey, Guildford, United Kingdom
3
Institute for Process and Particle Engineering, Graz University of Technology, Graz,
Austria
Keywords
DEM, GPU, XPS
Abstract
Simulation of granular flow using the Discrete Element Method (DEM) is a crucial tool that
is used in the pharmaceutical industry to gain understanding of processes. Typically, large
amounts of particles are needed to accurately model real-world problems. Together with
small time steps, the problem becomes very expensive in terms of computational effort.

This work presents the evolution of modern Graphics Processing Units (GPUs), and
compares theoretical compute capabilities with actual gains in simulation performance
we have observed using our code XPS. We model various pharmaceutical processes,
considering non-spherical particles, advanced contact models with contact history, and
coupled CFD-DEM problems using the commercial software AVL Fire. Finally we show how
the GPU advances the DEM.

241
 251: Particles motion mechanism of rock-fill dam under initial overtopping condition
Miao Wang
State Key Laboratory of Water Resources and Hydropower Engineering Science, Wuhan
University, Wuhan, China
Keywords
rock-fill dam, particles motion mechanism, overtopping, coupled CFD-DEM, test model
Abstract
Although great efforts have been devoted to revealing the dam-break mechanisms in
macroscopic scale, the study of mesoscopic particles motion of rock-fill dam is still not
sufficient. This paper presents particles motion mechanism of rock-fill dam under initial
overtopping condition based on the coupled Computational Fluid Dynamics and Discrete
Element Method (CFD-DEM) analysis. The important fluid–particle interaction forces, as
the drag force, the buoyancy force and the virtual mass force, are considered by
exchanging interaction forces between the CFD and DEM computations. We study on the
initial motion positions and movement modes of the dam particles
under different hydraulic head of overtopping. It is found that the higher hydraulic head
is, the lower initial motion position of dam particles will be in a certain range. The results
of CFD-DEM analysis reflect particles motion mechanism of rock-fill dam well through test
model validation.

242
 252: The bending stress of elongated particles in shear cell
Francois S. Hallac1, Andrew E. Bayly1, Frans L. Muller1, Claire S. MacLeod2, Richard A.
Storey2
1
University of Leeds, Leeds, United Kingdom
2
AstraZeneca, Macclesfield, United Kingdom
Keywords
Shear cell, elongated particles, bending stress, breakage
Abstract
Crystal breakage is an issue of great concern to the pharmaceutical industry. Conservation
of the desired Particle Size Distribution (PSD) throughout downstream processing is
extremely important, as PSD changes are known to affect properties such as bulk density
and flowability. Active Pharmaceutical Ingredients (APIs) are in majority organic and their
crystal shape of high aspect ratio; their main breakage mechanism is fragmentation by
bending stress.

Calculating the breakage of elongated particles in agitated drying systems is an active area
of research, however, the phenomenon is not totally predictable. Computational
methods, such as Distinct Element Modelling (DEM), have been used to simulate the flow
of particle beds for various stress conditions and a range of particles aspect ratio. To
elucidate the fracture phenomenon of elongated particles in agitated drying, the bending
stress of individual crystals needs to be determined within a bed of particles.

In this study, a shear cell is built in DEM and it is used to mimic the normal and shear
stress experienced by particles in dryers using moving parallel plates and periodic
boundaries. Elongated rigid particles are modelled using overlapping spheres and they
experience stress due to the shear application in the box. The bending stress of individual
particles is calculated during the DEM simulation and a bending stress distribution is
obtained for the given particles properties (mechanical and physical) and stresses (normal
and shear).

Current work in this study consists on correlating particle properties and breakage:
computationally determined bending stress distribution is combined with the known
critical breakage strength of particles of interest. We believe that such correlations will be
promising for the estimation of particle breakage during pharmaceutical isolation
processing.

The financial contribution of the EPSRC Centre for Doctoral Training in Complex
Particulate Products and Processes (CDT CP3) is gratefully acknowledged.

243
 254 Numerical Simulation of the Direct Shear Test on Granular Materials Composed of
Polygonal Crushable Particles: A DEM-XFEM Approach
Seyyed Mahdi Seyyedan, Ali Asghar Mirghasemi, Soheil Mohammadi
University of Tehran, Tehran, Iran, Islamic Republic of
Keywords DEM, XFEM, Particle Breakage, Granular Materials, Direct Shear Test.
Abstract The strength and deformation mechanism of granular soils has long been investigated due
to its importance in geotechnical structures, such as rockfill dams. Since large-scale traditional
laboratory experiments on rockfill materials such as triaxial and direct shear tests are costly and
laborious, nowadays many researchers are more likely to conduct numerical simulations to
investigate macro- and micro-mechanical behaviour of materials. The Discrete Element Method
(DEM) is one of the most promising numerical tools for modelling the granular media. Despite their
popularity, most numerical implementations of DEM do not ordinarily consider particle breakage
which is a disturbing phenomenon that impacts shear resistance and potentiality of compaction of
granular materials. The eXtended Finite Element Method (XFEM) is a computational technique
specifically designed for treating various displacement field discontinuities in materials such as
cracks.
In this study, a combined DEM-XFEM novel approach has been developed to simulate the direct
shear test on assemblies of polygonal crushable particles. The fracture within individual particles is
modelled with XFEM, while the particle motion is simulated through DEM approach. Furthermore,
the influence of various factors, including the aggregation of particles, grain shapes and vertical
stress in the macro- and micro-scales is investigated by presenting different aspects of the
assemblies’ responses such as coordination number, distribution of contact forces, particle stress
distribution, particle rotations, particle displacement and anisotropy. Finally, the effect of particle
breakage on macro- and micro-mechanical behaviour of granular materials is presented.

244
 255: BlazeDEM-GPU for simulations where particle shape matters
Nicolin Govender1, Daniel N. Wilke2
1
University of Surrey, Guildford , United Kingdom
2
University of Pretoria, Pretoria, South Africa
Keywords
Discrete Element Method, GPU, CUDA, Polyhedral Particle Shape, Convex, Non-Convex
Abstract
BlazeDEM-GPU is an open-source discrete element method (DEM) code, specifically
designed for multiple graphical processing units (GPU) using single and double precision
computing [1]. This is in stark contrast to the majority of commercial and open-source
DEM codes that have been primarily designed for central processing processor (CPU)
computing and modified after the fact for GPU computing. Consequently, these modified
codes only deliver limited speedup that varies from 2 to 20 times, whereas, BlazeDEM-
GPU has demonstrated to deliver up to 150 times speedup [1].

These computational improvements has allowed for the development of detailed particle
shape representations that include particle angularity and detailed contact phase
resolution that relies on the overlap volume to resolve contact forces. Detailed particle
shapes include convex particle shape representations [1], that has recently been extended
with non-convex particle shape representations [2]. The concrete benefit of BlazeDEM-
GPU is not merely the computation with improved shape representations but the
number that can be handled within realistic computational time frames. For example,
resolving one second simulation time of one million non-convex polyhedral particle
shapes overnight [3].

References

[1] Govender, N., Wilke, D.N., Kok, S. (2015) Blaze-DEMGPU: Modular high-performance
DEM framework for the GPU architecture, SoftwareX,

[2] Wilke, D.N., Govender, N., Pizette, P., Abriak, N.-E, (2017) Computing with non-convex
polyhedra on the GPU, International Conference on Discrete Element Methods,
2016, Springer Proceedings Phys. 188, 1371–1378

[3] Govender, N., Wilke, D.N., Wu, C.-Y., J. Khinast, Pizette, P., Xu, W. (2018) Hopper flow
of irregularly shaped particles (non-convex polyhedra): GPU-based DEM simulation and
experimental validation, Chemical Engineering Science, 188, 34-51

245
 256: Particle-based simulation of aeolian sand transport and the concatenated dust
emission
Sandesh Kamath1, Yaping Shao1, Eric Parteli2
1
Institute of Geophysics and Meteorology, University of Cologne, Cologne, Germany
2
Department of Geosciences, University of Cologne, Cologne, Germany
Keywords
DEM, aeolian sand transport, dust emission, cohesive forces, granular solids
Abstract
Introduction
Dust emission has major impacts on weather
and climate, ecosystem productivity, the
hydrological cycle of our planet through
interactions with clouds, radiation, the
biosphere and atmospheric chemistry.
Hence, it is crucial to represent the dust
Figure 1: Dust emission mechanisms [1]
cycle in accurate weather models. Unlike
sand, dust particles are not easily entrained
due to the presence of cohesive forces and are emitted by the bombardment of sand
particles during saltation, as shown in figure 1. In our research, we modeled this
particulate system using 3-D DEM simulations (LAMMPS [2]) to better understand the
particle interactions and the saltation process.
Methodology and observations
Inter-particle interaction forces are modeled using a Hertzian contact model for the
visco-elastic interaction and a non-bonded van der Waals force (cutoff distance 1 μm) for
the cohesive model. The monodisperse spherical particles ranging from 4 to 52 μm, were
initially settled under gravity and the packing behavior was analyzed. It is evident from
figure 2-b that for small particles in the presence of cohesive forces, there is a tendency
for the formation of tree-like structures or large agglomerates [3]; whereas figure 2-a
shows a settled bed in the absence of cohesive forces. This behavior is not observed for
larger particles (figure 2-c,d). This is noticeable in the packing fraction trend, which rapidly
decreases for particle size < 20 μm.

Figure 2: Packed bed with cohesion Figure 3: Packing fraction (φ) vs particle size

246
 Based on these particle interactions, preliminary dust emission mechanisms were also
simulated, as could be seen in figure 4a/b. A large agglomerate particle when impacted
onto a bed of cohesive particles could be seen ejecting smaller agglomerates after
fragmentation.

Figure 4a: Agglomerate before impact Figure 4b: Particle ejection after impact

Outlook
The cohesive inter-particle interaction model was implemented alongside a visco-elastic
contact model to show the significance of cohesive forces among dust particles.
Preliminary simulations of dust emission mechanisms were implemented using the
parallelized discrete element method, in our goal to realize a computationally efficient
tool for aeolian sand transport.

Acknowledgement
We would like to thank the German Research Foundation (DFG) for funding through this
project #348617785.
References
1. Shao, Y., 2008. Physics and modelling of wind erosion (Vol. 37). Springer Science &
Business Media
2. Plimpton, S., 1995. Fast parallel algorithms for short-range molecular dynamics. Journal
of computational physics, 117(1), pp.1-19 http://lammps.sandia.gov
3. Parteli, E.J., Schmidt, J., Blümel, C., Wirth, K.E., Peukert, W. and Pöschel, T., 2014.
Attractive particle interaction forces and packing density of fine glass powders. Scientific
reports, 4

247
 257: GPU based DEM enabling new simulation and design paradigms
Daniel N. Wilke1, Nicolin Govender2
1
University of Pretoria, Pretoria, South Africa
2
University of Surrey, Guildford, United Kingdom
Keywords
Discrete Element Method, Interactive Simulation, Just-In-Time, Design Optimization
Abstract
BlazeDEM-GPU is an open-source discrete element method (DEM) code, specifically
designed for multiple graphical processing units (GPU) using single and double precision
computing [1].

The significant computational improvements combined with explicit time integration is

enabling new simulation paradigms, namely, interactive simulations [2][3].

Interactive simulations, as the name implies, are simulations where the user can interact
and modify simulation parameters and geometries real-time. Although the simulations
themselves are not necessary real-time, they are fast enough to be responsive from a user
perspective. In addition, model fidelity is critically interrogated and a clear distinction
between accurate quantities versus accurate trends (changes in quantities) is made. We
demonstrate that, in general, a lower model fidelity can be used to obtain accurate
trends, whereas accurate quantities typically requires higher fidelity models.

Needless to say, applications benefitting from the interactive simulation paradigm, can be
widened when replacing real-time simulations by sensible reduced order models.
Potential avenues in this regard is explored in this study.

248
258: Modeling of Plate Impact Experiments in Westerly Granite Using the Combined Finite-
Discrete Element Method
Viet Chau, Esteban Rougier, Zhou Lei, Earl Knight, Abigail Hunter, Gowri Srinivasan, Hari
Viswanathan
Los Alamos National Laboratory, Los Alamos, USA
Keywords
Brittle, FDEM, High Strain Rate, Granite
Abstract
Plate-impact experiments are generally used to better understand the inelasticity of many
brittle materials. Modeling these brittle materials impact experiments is a challenging
problem because of the complexity of the involved physics and the high computational
cost. Under extreme loading conditions, brittle materials fail suddenly through dynamic
fracturing processes. These failure mechanisms are typically a result of nucleation,
interaction and coalescence of micro-cracks present throughout the sample. In this study,
the Finite-Discrete Element Method (FDEM), which merges the finite element based
analysis of continua with discrete element based transient dynamics, contact detection,
and contact interaction solutions, is used to simulate the response of a flyer-plate impact
experiment in a Westerly granite sample that contains a randomized set of cracks. FDEM
has demonstrated to be a strongly improved physical model as it can accurately
reproduce the Velocity Interferometer System for Any Reflector (VISAR) plot and capture
the spall region obtained from the flyer plate experiment.

These FDEM capabilities, in the context of rock mechanics, are very important for two
main reasons. First, the FDEM can be further applied to many complex industrial problems
such as planetary impact, rock blasting, seismic wave propagation, characterization of
material failure around explosive crater formations, and the detection of hydrocarbon
flow in petroleum industry, etc. Second, it can be used to validate high strain rate impact
experiments and essentially, via virtual experimentation, replace these high cost
experiments by very cost- and time-effective simulations.

249
 259: Critical state behaviour of granular materials
Md Mizanur Rahman, Khoi Nguyen
The University of South Australia, Adelaide, Australia
Keywords
Critical state, triaxial, consolidation, cyclic loading
Abstract
The behaviour of granular materials has been widely examined under laboratory
conditions; however, the real micro-mechanics behind the observed behaviour has not
been fully understood. Discrete element method (DEM) was, hence, adopted for
investigating the behaviour of granular materials under the critical state soil mechanics
(CSSM) framework. It was found that DEM is able to simulate stress and strain path tests
(constant volume, cyclic loading, anisotropic consolidation, etc.), which are difficult to
conduct in laboratory condition, and produces the qualitative response of granular
materials i.e. captures important characteristic features of shearing response. The critical
state (CS) data from a series of triaxial simulations formed a unique critical state line (CSL)
in the classical e-log(pʹ) space, regardless of consolidation and drainage conditions. The
CSSM framework was also found suitable for synthesizing both monotonic and cyclic
behaviour in DEM. The uniqueness of CSL was also observed for micro-mechanical
quantities such as number of contacts and fabric anisotropy. The qualitative correlations
between macro- and micro-parameters, which are important anchor concepts for soil
modelling, were established.

250
 261: Virtual Calibration Chambers for geotechnical in-situ tests
Marcos Arroyo
UPC, Barcelona, Spain
Keywords
CPT, DMT, SPT, DEM, calibration chamber
Abstract
In-situ tests, including the cone penetration test (CPT), the Marchetti dilatometer (DMT)
or the Standard Penetration Test (SPT) are a mainstay of geotechnical engineering. They
are used to delineate soil stratigraphy, obtain soil properties, design foundations and
evaluate liquefaction risk. They are fast, cheap and efficient. Their main inconvenience is
that mechanical interpretation of these tests is not easy and many factors affecting test
results are poorly understood. Experimental study, based on large physical calibration
chambers or field tests, is cumbersome and costly.

In principle, numerical simulation may be also used to perform controlled experiments. In

practice in situ testing involves large displacements, large strains, moving boundaries and
-sometimes- high loading frequencies. It is not clear which numerical technology will be
more appropriate for this kind of study. For granular soils, models based on the Discrete
Element Method (DEM) appear attractive because 1) they are able to deal with large
displacement contact problems in a dynamic setting 2) they have relatively few free
material parameters to calibrate 3) they can easily incorporate grain scale properties such
as crushability or grain shape that are known to affect test results.

This communication presents an overview of recent work done at UPC to study in situ
tests in granular soils with DEM models. Several examples are presented to illustrate the
capabilities and current limitations of the method.

251
 262: Multi-scale modelling of charging/discharging of potassium carbonate particles in a
thermochemical energy storage reactor
Amirhoushang Mahmoudi1, Pim.A.J. Donkers2, Mina Shahi1
1
University of Twente, Enschede, Netherlands
2
TNO, Eindhoven, Netherlands
Keywords
Thermochemical material (TCM), heat storage, solid/gas sorption
Abstract
There is a growing need for flexibility for the use of sustainable energy sources, which is
caused by the natural fluctuations in the supply of these forms of energy. Compact
thermal energy storage strongly contributes to the desired flexibility and energy savings
while maintaining a secure supply and level of comfort. Thermochemical materials have
the potential to store 5 to 10 times as much heat per volume as a storage system based
on water with a relevant temperature difference. In addition, there are no heat losses
when storing heat in Thermochemical Materials (TCM), which makes the application
particularly suitable for long-term storage.
In this paper, the objective is to investigate the capability of salt hydrates (e.g. K2CO3) to
store energy during their dissociation into anhydrous salts and water vapor when they are
supplied with external heat. To achieve this a mathematical model is developed where the
fluid phase is treated as a continuous phase and individual particles are tracked with a
Lagrangian approach. The developed model describing solid/gas sorption processes
considers heat and mass transfer characterization through conduction-diffusion
equations. In the thermochemical energy storage system, a grain is the basic particle
where the reaction takes place. The chemical kinetics of the grain (as function of pressure
and temperature) determined from the experiments are used as an input for the model.
In the proposed model, TCM particles can interact with each other while
charging/discharging. At the same time, interaction with and through the surrounding gas
phase is accounted by CFD. A parametric study provides suggestions to improve process
performance by properly selecting materials for thermochemical energy storage. Results
obtained from the model can help identify optimal materials configurations for
thermochemical storage within practical constraints. This is a requirement for developing
an efficient Heat Battery.

252
 263: Modelling a propeller in various liquids with DEM-CFD coupled simulation method
Ádám Faller1, Márton Tóth1, Dániel Horváth2, Kornél Tamás1
1
Budapest University of Technology and Economics, Department of Machine and Product
Design, Budapest, Hungary
2
Budapest University of Technology and Economics, Department of Building Services and
Process Engineering, Budapest, Hungary
Keywords
DEM, CFD, MFIX, ball valve, propeller
Abstract
This study is about a task of the BME Solar Boat Team experienced in the Netherlands.
The team develops and races an electric racing boat. Due to the low water level in the
narrow Dutch channels, the massive upsurge of the sludge can be observed due to the
movement of the propeller. After the team started to develop their own propeller, a
theoretical approach to the task was also raised. Thus the aim of the interaction between
the propeller and the impurities in the water, the dependence of the flow of the profiles
and the particles, and the failure of the faster wear, were intended.

In the research, a coupled CFD-DEM simulation method was used, which proved to be
appropriate for the task. To construct and execute simulations, the MFiX open source
software was used. The ability of the method is demonstrated by the fact that
complicated simulations can be simulated with low computing capacity and the fact that
there have been several successful simulations for the used method. One of the test
aspects was the change in the viscosity of the medium flowing in the chosen geometry,
which resulted in different deposition and flow images. As an outline, various engineering-
tribological applications were also presented, which greatly assist the work of design
engineers, saving time and money by replacing laboratory measurements with
simulations. In addition, they provide guidance on selecting the appropriate geometry or
viscosity flow medium for machine elements. The method chosen has proven to be
appropriate for examining the problems that arise.

253
 264: Fabric features influencing the liquefaction resistance and post-liquefaction shear
deformation of sand
Rui Wang1, Pengcheng Fu2, Jian-Min Zhang1, Yannis Dafalias3,4
1
Tsinghua University, Beijing, China
2
Lawrence Livermore National Laboratory, Livermore, USA
3
University of California, Davis, Davis, USA
4
National Technical University of Athens, Athens, Greece
Abstract
The liquefaction resistance of sand and the generation of large but bounded shear strain
during sand’s liquefaction are both affected by fabric features. The current study attempts
to identify a variable to quantify the fabric evolution during post-liquefaction cyclic
loading. The objective is to explain the post-liquefaction shear deformation development
and to pinpoint the fabric characteristics and processes influencing the liquefaction
resistance of sand. The discrete element method (DEM) is adopted to conduct undrained
cyclic biaxial simulations on granular assemblies consisting of 2D circular particles. The
numerical simulations can successfully reproduce the liquefaction behavior of sand,
especially the generation and eventual stabilization of shear strain at zero effective stress
after initial liquefaction. Based on macro and micro mechanical observations at
liquefaction, a new fabric measurement, the Mean Neighboring Particle Distance (MNPD),
is introduced. The MNPD captures the microstructural features of granular materials that
govern deformation behavior in the liquefaction state. It is directly measurable, has clear
physical meaning, and reflects the amount of rearrangement that is needed for a granular
material in a ‘suspended’ liquefaction state to reach a stable load-bearing state. The new
fabric quantity MNPD, along with the second order fabric tensor that quantifies
anisotropy, is also shown to significantly influence the liquefaction resistance of sand,
even overpowering the influence of overall density under certain conditions. These
findings enhance the understanding of sand’s liquefaction behavior by establishing links
between post-liquefaction shear deformation development and an intrinsic fabric metric,
and between liquefaction resistance and changes in quantifiable fabric states.

254
 265: LMGC90: an open platform dedicated to the numerical modelling of collections of
mechanical systems in interaction
Frédéric Dubois, Rémy Mozul

LMGC CNRS - Université de Montpellier, Montpellier, France

Keywords

Contact, Dynamics, DEM, FEM, Open source, Software, Multi-physics

Abstract

LMGC90 is an open platform dedicated to the modelling of large collections of interacting objects (2D/3D). It aims at modelling
objects of any shape with various mechanical behaviour and to take into account interaction laws as complex as necessary.
Furthermore, multiple physics couplings (thermal effects, fluids, etc.) are progressively taken into account.
This software was first designed to gather all the knowledge and developments around granular material, contact mechanics, the
NSCD method made at LMGC, particularly those of J.J. Moreau and M. Jean. Its modular architecture was designed and adapted
so that it ensures robustness while adding new features.
After almost two decades of developments the platform now offers quite a lot of features. Concerning the modelling of the bulk
behaviour of the bodies:
• rigid - mechanics with Newton-Euler equations (2D/3D),
• deformable - (linear/non-linear) mechanics with Finite Element Method (2D/3D),
• couplings to tackle thermal evolution, to model porous media
Concerning the other functionalities:
• several time evolution strategies like quasi-static, implicit time integrator (theta-scheme) or explicit one (verlet),
• a wide set of primitives (disk/sphere, polygon/polyhedron, polyline/triangulated surface, etc.) to describe contact,
• a wide set of implicit or explicit contact laws (Signorini-Coulomb, Cohesive Zone Model, etc),
• a Non-Linear Gauss Seidel contact solver able to solve many different contact laws and bulk models modelling in a
robust way. Enhancement to manage multiple physics couplings.
The core of the software is written in Fortran90 to provide computational efficiency while the API is in Python to make access to
internal database easier and to allow weak coupling with other software. As such, GMSH tool is extensively used for pre-
processing.
The core of the software has several entry points allowing the binding with external libraries to enhance features and efficiency,
like:
• MatLib library is used for behaviour law computation for Finite Element Models
• MUMPs library is used for the resolution of sparse linear systems
• RoboTran software can be used to access Multi-Body-System models
• SiconosNumerics library can be used to access different contact solvers (global solver such as Alart-Curnier
Generalized Newton method)
• Migflow is currently an active collaboration allowing coupling with fluid mechanics
The current main field of applications are:
• Dry granular materials: mine engineering (SRK), ballast tamping (SNCF), tribology of complex systems (Messier), etc
• Concrete: fracture and multiple physics couplings (IRSN), etc
• Masonry structures (AIA, Freyssinet)
• Fluid-grains mixture (academic collaboration with UCL, GeoSciences Montpellier, ENS Lyon)

255
 266: Development of continuum models of ellipsoidal grains
Ben Nadler1, Francois Guillard2, Itai Einav2
1
University of Victoria, Victoria, Canada
2
University of Sydney, Sydney, Australia
Keywords
Continuum mechanics, constitutive modelling, ellipsoidal grains, dense granular flow
Abstract
Ellipsoidal grains show a complex microscopic behavior associate with their ability to
orient and align with respect to each other and the flow.
These additional microscopic degree of freedom is an evolving property that gives rise to a
complex anisotropic mechanical response.
Available continuum constitutive models of dense granular materials typically only
consider grain size while ignoring grain shape, orientation and alignment and their effect
on the mechanical response.
This presentation discusses the derivation of a generalization of the inertia rheology to
ellipsoidal grains. The construction of the continuum model is motivated and supported
by District Element Method simulations, imposed requirements on a constitutive law, as
well as the representation theorem. The model consists of a constitutive law that relates
the grain shape, microstructure arrangement and the flow to the developed stresses and
an evolution law for the microstructure arrangement.

The macro-scale stress response vs. grain shape for frictionless grains subjected to simple
shear

256
 267: Investigating the effects of Cohesion and Screw Configuration in a Twin-Screw
Granulator using the Discrete Element Method
John Morrissey, Kevin Hanley, Jin Ooi
University of Edinburgh, Edinburgh, United Kingdom
Keywords Powder, DEM, Cohesion, Wet Granulation, Twin Screw Granulation.
Abstract Wet granulation is a process used to create larger stable agglomerates (granules) from fine
powders. This has many desirable outcomes such as improving flowability, compactibility, and
homogeneity. Granulation is commonly employed in the food, pharmaceutical, detergent, and
fertilizer industries, but despite its wide adoption it is often problematic in operation, with high
recycle ratios in continuous processes and high rejection rates in batch processes.

Although tremendous efforts have been made to gain scientific insight into the granulating process,
a fundamental understanding of wet granulation is still lacking due to the complexity of the
mechanisms involved. With twin screw granulation becoming a popularly employed method of wet
granulation, an in-depth understanding of particle enlargement in the granulating process is
necessary in order to improve the quality of the final product without the need for large-scale
Design-of-Experiment studies.

Despite the extensive experimental research carried out for twin screw granulators in recent years,
there has been little computational work carried out. This paper employs the Discrete Element
Method (DEM) to study a 25 mm diameter, GEA ConsiGma™ 1 twin screw granulator with a series of
typical configurations for the kneading elements considered. The DEM simulations were conducted
using the commercial code EDEM with a DEM contact model developed for cohesive solids. The
contact model is based on an elasto-plastic contact with adhesion and uses hysteretic loading and
unloading paths to model the elastic-plastic contact deformation. In these simulations, the adhesion
is used to capture the effect of the binder liquid without the complication of modelling the liquid
directly. The adhesion parameter is a function of the plastic contact overlap. The model has
previously been shown to be able to predict the stress-history-dependent behaviour depicted by a
flow function of the cohesive bulk material.

In this study, two important factors are investigated. Firstly simulations were performed to compare
the behaviour of a cohesion-less material with a cohesive material to understand the effect of
cohesion on the key results such as the residence time distribution, mass hold-up and the stress
regimes on the kneading and conveying elements of a ConsiGma granulator. Secondly the effect of
the changing screw configuration on the residence time distribution, local solid fraction and stresses
experienced at different elements in the twin-screw granulator is assessed. The results shows the
influence of these key factors which helps to determine an optimal configuration for the operation.

257
268: Integrated DEM and SPH Model of Woody Debris Interaction with River Infrastructure
Anton V. Kulchitsky1,2, Jerome B. Johnson3,2, Jeremy L. Kasper2, Paul X. Duvoy2
1Coupi, Inc., Bedford, NH, USA
2University of Alaska Fairbanks, Faribanks, AK, USA
3Coupi, Inc., Fairbanks, AK, USA.

Keywords
DEM, SPH, debris, renewable energy, fluid, liquid, CFD, boundary conditions
Abstract
Hydrokinetic power generation that uses river kinetic energy is a promising source of electricity in
rural Alaska. Many villages located along rivers are not accessible by road and that are unconnected
to an electrical grid can benefit from the use of hydrokinetic energy generation. Hydrokinetic
generator operations and maintenance becomes impossible without special protection from the
numerous logs and other woody debris in the rivers. The Alaska Hydrokinetic Energy Research
Center developed and performed a series of tests on a research debris diversion platform (RDDP),
which was designed to protect hydrokinetic energy infrastructure on rivers. We developed an
integrated DEM and SPHmodel, the hydrokinetic debris interaction simulator (HDIS) to simulate
debris interaction with the RDDP to help optimize RDDP performance and different interaction
scenarios.
HDIS is a new model that uses both DEM and SPH methods fully integrated with each other
including solid-liquid interaction and periodic boundary condition to simulate a part of the river with
the RDDP and debris. The RDDP and logs are constructed with spheres that can overlap. The logs
interact with each other and other DEM objects. HDIS uses Hertz-Mindlin contact physics to model
the interaction within DEM model. The river banks and the river floor are also represented with
similar DEM sphere clusters. The RDDP is constructed with a freely rotating cylinder at the apex and
two long pontoons behind it. The platform has a V-shape and resembles a sharp angle pointing
against the river stream. The hydrokinetic generator is located inside the angle, thus being
protected from floating debris that can damage the generator or accumulate in front of it and
obstruct the stream.
Water flow is modeled using a standard SPH method. Periodic boundary conditions for SPH are
constructed using “ghost” virtual SPH particles. The water stream is created by a slight angle tilt of
the gravity vector from the normal representing the level change along the river.
The essential part of the HDIS model is the novel interaction method being developed between solid
bodies and liquid particles. The liquid pressure field is integrated along the solid surface to calculate
both forces and torques imposed from the liquid to the solids and from solids to liquid. A non-
penetration boundary condition is strictly enforced by additional boundary equations that correct
both liquid and solid particle velocities. The resulting model represents a segment of the river with
moving liquid and floating debris that can interact with river structures. The model allows any size
ratio between DEM and SPH objects.
A series of numerical tests with debris created in HDIS were run. The forces measured at RDDP
during field measurements are compared with the forces calculated using the HDIS model. The
trajectory of the logs derived from HDIS simulations are compared with an episode captured on
video when a large log collided with the RDDP and then swung behind it. The HDIS simulation results
well matche the observations from field tests and can be used to simulate large debris behavior
during its interaction with hydrokinetic infrastructure.

258
 270: Virtual Prototyping of Particulate Processes – Design Optimization via Multiscale
Modelling and Rapid Prototyping: Heterogeneous Multiscale Modelling for Twin-Screw Wet
Granulation
Steven Tseng, Thomas Weinhart, Stefan Luding, Anthony Thornton
University of Twente, Enschede, Netherlands
Keywords
wet, granulation, multiscale, modelling, twin-screw, agglomeration, population, balance,
discrete, particle
Abstract
Granulation is the process of agglomerating particulate materials or powders into larger,
semi-permanent aggregates called granules. It is employed in a wide range of industries
including pharmaceuticals, foodstuffs and chemicals with an annual production value in
excess of US $1 trillion in the United States alone. A type of granulation used extensively
in the manufacture of pharmaceuticals is wet granulation (WG), which is performed
through spraying a liquid binder onto particulate materials in a high-shear mixer, fluidized
bed or similar apparatus, creating granules with desired properties. However, the design
of equipment for WG relies heavily on empirical data and experiments due to a poor
understanding of the fundamentals of granulation, resulting in expensive laboratory
testing. WG is characterized by a three-step process: wetting and nucleation;
consolidation and growth; and attrition and breakage. Twin-screw granulation (TSG) is a
type of WG that has been gaining use in pharmaceutical production due to its scalability,
simple maintenance, high product quality and easy integration with other processes.
Through multiscale modelling techniques, specifically population balance modelling (PBM)
alongside discrete particle modelling (DPM), we hope to elucidate on WG processes and
develop further mechanistic understanding of particulate behavior during granulation --
with a focus on TSG. Moreover, as the PBM equations are complex and generally may not
be solved analytically, we will explore efficient numerical solution techniques for solving
them. Finally, to validate and calibrate our models, rapid prototyping will be utilized to
create miniature setups which can be simulated fully at the micro-scale.

259
 271: A Dynamic Approach for Modelling Density-segregation of the Granular Matter
Liuyimei Yang, Qijun Zheng, Aibing Yu
Monash University, Melbourne, Australia
Keywords
Density-Segregation, Convection, Diffusion, Granular Materials, Rotating Drum.
Abstract
Mixing of granular materials is notoriously difficult to predict partly due to the
complicated mixing mechanisms of particles and partly their variable flow kinematics.
Despite many theoretical studies in idealised configurations of chutes and rolling-mode
drum, a generic macroscopic model for granular mixing has not been achieved. A
continuum model is proposed for simulating density-driven segregation of particles, based
on the convective-diffusive-segregating equations coupled with the rheology of dense
granular flow. Notably, the model is implemented via a dynamic finite element method
and an online coupling technique. It, therefore, allows to model the tempo-spatial
variation of particle concentration in either steady or unsteady granular flows. Built on
these fundamental physics, the model will have a very wide scope of application, not
limited by the geometry, operation condition or properties of the material. Its
performance will be demonstrated in the talk focused on a rotating drum.

260
 272: Using DEM simulation to eliminate diamond breakage in a shape shorting machine.
Surika Bezuidenhout, Garry Morrison
De Beers Group Technology, Johannesburg, South Africa
Keywords
Particle Breakage, Diamond, Shape Sorting
Abstract
We recently had an urgent requirement to adapt our shape sorting machine to be able to
capture 3D models of a large number of individual diamonds. Handling diamonds comes
with the additional constraint to minimise diamond damage (cracking) and prevent
particle breakage.

Having identified the area in our shape sorting machine with the highest possibility of
damaging diamonds, we simulated the trajectories of a range of diamond shapes. The
diamond shapes were simplified versions of the high-fidelity models captured with our
shape sorting machine.

From each trajectory we extracted the maximum collision velocities and compared these
to an in-house model for diamond breakage. This approach allowed us to make
modifications to the the material path through the machine and to validate that the
collision velocities were below the threshold for diamond breakage.

261
 273: LB-DEM simulation of particle deposition on fibers with different charge distribution
models
Rongrong CAI, Lizhi Zhang
South China University of Technology, Guangzhou, China
Keywords
LB-DEM simulation particle filtration charge distribution
Abstract
Electret filter material can quasi-permanently store charges and capture particles by
additional electrostatic attraction, thus it has been widely used in air purification. The
amount and distribution of charges in the electret filter directly affects the electrostatic
field and in turn affects the particle collection performance. The paper investigates the
filtration performance of electret fiber filter with three different charge distribution
models by lattice Boltzmann coupled with discrete element method (LB-DEM) simulation.
LBM is convenient for handling complex physical boundary, and DEM is suitable for
characterizing the particle properties (eg. dielectric constant, charge density distribution).

Through the simulation of the motion and deposition of fine particles in the porous filter
material under the couple of flow field and the electrostatic field, the filtration efficiency
is obtained. Compared with the existing literature, it shows that the traditional
assumption that the uniform charge distribution in the electret filter material will result in
a low prediction of filtration efficiency, and the non-uniform distribution of bipolar charge
is the most suitable.

262
 274: Discrete Particle Simulation of the Spreading Process in Additive Manufacturing
Mohamad Yousef Shaheen1,2, Anthony Thornton1, Stefan Luding1, Thomas Weinhart1
1Multi-Scale
Mechanics, Faculty of Engineering Technology, University of Twente, Enschede,
Netherlands
2Department of Design, Production and Management, Faculty of Engineering Technology, University

of Twente, Enschede, Netherlands

Keywords Additive manufacturing, selective laser melting, discrete particle method, spreading
Abstract Selective Laser Sintering/Melting (SLS/SLM) is an additive manufacturing (AM) process that
is categorised under powder bed fusion (PBF): objects are produced by spreading successive layers
of powder material and solidifying selected parts by sintering/melting them with a laser.
The process consists of different stages and for each stage different process parameters exist, figure
(1) shows a schematic of the process. The powder spreading process is mainly governed by the tool
geometry, material properties, and speed of the spreading tool. In addition, powder feedstock and
powder characteristics play a major role in the powder layer quality, which in turn would influence
the final product properties. Typically, optimising the process parameters to achieve the desired
final product properties is done by performing costly experimental trials. Therefore, developing a
computational tool would help reducing the amount of trials, thus reducing the manufacturing
costs.
The spreading process was simulated in MercuryDPM [1], using a discrete particle model (DPM) of
linear elastic, dissipative, frictional contact forces [2] and cohesive contact forces [3]. Then the layer
characteristics were obtained by coarse-graining [4] which generates continuum fields e.g. density
from discrete data. In this work, we investigated the DPM parameters influence on the spread
powder layer characteristics, where the layer properties such as volume fraction, height, etc. were
calculated and analyzed. Initial results showed that the powder layer is nonhomogeneous, posses
low volume fraction and higher particles segregation at higher interparticle friction. In addition,
increasing the spreading tool speed reduced particles segregation. However, the layer porosity was
increased. Further investigations will focus on experimental validation, humidity effect and
spreading tool design evaluation.

Figure 1: SLS/SLM process schematic

References
[1] http://www.mercurydpm.org
[2] S. Luding, Granul Matter, 10(4), 235246 (2008)
[3] K. L. Johnson et al., P Roy Soc A-Math Phy, A324, 301313 (1971)
[4] T. Weinhart et al., Granul Matter, 14(2), 289294 (2012)

263
 275: Particle-Fluid Flow and Transport Between Geometrically Rough Surface Boundaries
Ingrid Tomac, Brian Yamashiro
University of San Diego, La Jolla, USA
Keywords
proppant, DEM, CFD, hydraulic fracture, two-phase
Abstract

This paper investigates the effects of geometrically rough surfaces on particle-fluid flow
and transport, specifically for better understanding its impact on particle settling
velocity. Proppant particles are injected into fractures during the hydraulic fracturing
process for permeability enhancement of georeservoirs through maintaining fracture
opening upon wall close-in. The propped opening of the fracture provides enhancement
of the hydraulically fractured georeservoir’s productivity and project yield. Part of the
successful design of a proppant injection program is the ability to predict proppant
settling behavior accurately. Numerous past investigations of the injected proppant
behavior in fractures have involved idealized configurations in which the proppant is
injected into smooth walled fractures. The idealized conditions are however non-
reflective of in field rock fracture surfaces, which exhibit complex characteristics, including
geometrically roughened surfaces. Understanding of surface roughness variances’ impacts
on proppant and fluid flow is essential for accurately predicting proppant behavior and
improving design projects. This research uses the Discrete Element Method coupled with
computational fluid dynamics (DEM-CFD) for studying effects of varying fracture surface
roughness, via varied fractal dimension, on proppant settling behavior. Fracture surfaces,
representative of those found in actual rock fractures, were numerically generated based
on a recursive subdivision algorithm known as the ‘Diamond-square midpoint
displacement’ method. This work provides an insight into the importance of fracture
surface roughness analogous to actual rock surface characteristics when considering
proppant behavior in fractures and of the impact of geometrically rough boundary walls
on particle-fluid settling behavior in general.

264
 276: A Particle Collision Selection Method Based on Monte Carlo Method
Kun YANG
Institute of Physical and Chemical Engineering of Nuclear Industry, Tianjin, China
Keywords
discrete,particle collision,collision selection,optimize,Monte Carlo method
Abstract
Calculation of rarefied gases most adopts discrete method. The number of simulated
particles is an important parameter of discrete algorithm. The lighter the mass of
simulated particles is, the more the number of simulated particles is, the higher the
accuracy of the corresponding calculation results, and the more difficult the calculation is.
Therefore, how to set the appropriate simulated particle mass has always been an
important problem to be solved by discrete algorithm.
There is no solution to set the appropriate simulated particle mass in this paper, but by
optimizing the conventional particle collision selection method, this paper indirectly
reduces the dependence of the accuracy of calculation results on the setting of simulated
particle mass, and then reduces the difficulty of calculation, so as to determine the
appropriate simulated particle mass equivalently.
The particle collision selection method proposed in this paper is explained by the two-
particle collision selection method in a grid in Monte Carlo method: The basic parameters
of the grid and the particles in the grid are known, the original Monte Carlo method
calculates the number of collision particle pairs n first, and then randomly chooses n for
collision calculation; And the method in this paper is to add an influence factor m greater
than 1 and select n*m pairs of particles, each pair of particles chooses whether or not to
collide through probability 1/m, then the collision pairs calculated by probability are
calculated. Others such as mesh generation and boundary reflection and so on, follow the
original Monte Carlo method.
Assuming that the mass of the simulated particle is 1, by adding the particle collision
selection method (m=2) in the Monte Carlo method, and comparing with the original
Monte Carlo method to reduce the particle mass, it is found that adding the influence
factor m=2 is equivalent to the original Monte Carlo method with the particle mass of 0.6
under the same convergence accuracy and the particle mass of 0.8 under the same
convergence time.
It can be seen that the particle collision selection method proposed in this paper is added
to the Monte Carlo method, which improves the calculation accuracy but increases the
computational difficulty. However, the increase of computational difficulty is less than
that of computational accuracy, which shows that this method is useful to optimize the
Monte Carlo method.

265
 277: Multiscale framework study of particle attrition in pneumatic conveying of coarse
particles
Tianjin Li, Xingzhong Diao, He Yan, Hanliang Bo, Yujie Dong
Tsinghua University, Beijing, China
Keywords
Particle attrition, Particle breakage, Particle collision, Granular flow, Granular materials
Abstract

Research on pneumatic conveying process belongs to the field of particle science in

multiphase flow. Pneumatic transportation of absorber spheres in the pebble-bed high
temperature gas-cooled reactor (HTGR) is a special application of pneumatic conveying
technique in nuclear engineering field. The whole conveying process is an intermittent
circulation of absorber spheres between the reflector boring and the storage bin in the
reactor. It consists of several sub-processes, e.g., the granular discharge from the storage
bin into the boring, granular discharge from the side reflector boring into the feeder,
particle entrainment in the feeder, sphere conveying in the transport pipe and gas-solid
separation in the storage bin. Particle motion behaviour and particle attrition
characteristics of absorber spheres are very important for the design and operation of this
special conveying system. In this study, we give a brief summary of our previous
experimental and simulation work for coarse particle conveying. Then, a multiscale
framework for investigation of particle attrition in the pneumatic conveying of coarse
particles is introduced. Further research requirements are proposed for a better
understanding of the conveying process and to optimize the conveying system design.

266
 279: A coupled approach of discrete element method and pore network model in the
simulation of particle-fluid flows
Yongli Wu1, Qinfu Hou1, Zheng Qi1, Aibing Yu1,2
1
ARC Research Hub for Computational Particle Technology, Department of Chemical
Engineering, Monash University, Melbourne, Australia
2
Centre for Simulation and Modelling of Particulate Systems, Southeast University -
Monash University Joint Research Institute, Suzhou, China
Keywords
Particle-fluid flow, pore scale modelling, discrete element method
Abstract
Discrete element method (DEM) has been coupled with various models (e.g., CFD, SPH
and LBM etc.) for the simulation of particle-fluid flows in the past decades. DEM generally
computes the dynamics of solids at a particle scale, whereas the computational scale of
fluids by the other model like CFD or SPH/LBM is either larger or smaller than the particle
scale. The mismatch of the scale leads to either high computational cost or uncertainties
in the coupling scheme. This work presents a coupled approach of DEM and pore network
model. The computation scales for solids (particle scale) and fluids (pore scale) are
equivalent, thus allowing the coupling to be straightforward. Validation of the model is
conducted through comparisons with experiments and LBM results for a relatively wide
range of Reynolds number. The descriptions of fluid flows and calculations of particle-fluid
forces are also discussed.

267
 280: Investigating the jamming phenomenon of the poly-dispersed particle system via
coupled CFD—DEM simulations
Shanlin Xu, Honglei Sun, Yuanqiang Cai
Zhejiang University, Hangzhou, China
Keywords
Jamming, Fluid-driven particle flow, CFD-DEM, Particle size distribution, Jamming arch
Abstract

The jamming of a dense stream of particles when passing through an orifice is a general
phenomenon that exists both in daily life and many industrial fields, such as the grains
clog the silo during discharging, and the granular material jam the conduits which are
designed to carry them smoothly. Over the years, there have been intense researches
focusing on the occurrence of the jamming phenomenon and the influence of the
underlying factors on it. However, most of the previous studies work on the mono-
dispersed, bi- and tri-dispersed particle system, and the researches on the poly-dispersed
particle system with the continuous particle size distribution is lack. Many natural
particles, such as the atmospheric aerosols and the soil particles, of which the particle size
is log-normal distributed, also occur many jamming phenomena in chemical and civil
engineering projects. Therefore, this work aims to study the jamming of this type of poly-
dispersed particle system by performing a three-dimensional simulation via the coupled
Computational Fluid Dynamics—Discrete Element Method (CFD—DEM) model. The DEM
model simulated the particle motion, and the coupled procedure of CFD and DEM model
models the fluid-particle interaction force which drives the particle to flow. The
agreement between the simulation results and the experimental results demonstrates the
capacity and validity of the CFD-DEM model on simulating the fluid-driven jamming of the
poly-dispersed particle system. From the simulation results, the jamming probability and
the critical orifice-particle ratio size are both strongly dependent on the size of the large
particles, especially the characteristic particle diameter d90 such that 90% of the sample by
weight consists of finer grains. The critical orifice-particle ratio size also exists in the poly-
dispersed particle system when the orifice-particle ratio size is defined as the ratio of
orifice size to d90. Moreover, benefit from the DEM model, we capture the particles that
form the particle jammng arch and analyze the proportion of those particles according to
the particle diameter dp. It is observed that the particle jamming arch is mainly formed by
large particles. Since those large particles form the particle arch and lead to the jamming
happening, the size of large particles, e.g. d90, prominently influence the occurrence of the
poly-dispersed particle jamming.

268
 281: Experimental investigation of flow and segregation of non-spherical particles in
rotating cylinder.
Hrishikesh M. Mhatre, Sandip H. Gharat
Gharda Institute of Technology, Lavel, Khed, Ratnagiri - 415708 , India
Keywords
Segregation, Rotating Cylinder, Non-spherical particles, Granular materials
Abstract
Segregation particles (spherical as well non-spherical) is very common phenomena during
flow. Granular materials segregate due to differences in size, shape & density. We have
studied this phenomena in a two-dimensional rotating cylinder (axial length is much
smaller than the diameter). Cylinder is driven by a computer-controlled stepper motor
having radius 16 cm and length 1 cm. Mixtures of different pulses (moong-daal, rice etc.)
are used to investigate the segregation phenomena. Parameters varied in the experiments
are composition, rotational speed (4-8 rpm) to obtain different concentration profile.
Image analysis is done to detect the postion of the particles. Area fraction and number
fraction profiles are plotted along the flow path. Segregation patterns are obtained for
each case studied. As rotational speed increases segregation equilibrium was achieved
sooner.

269
 282: Parametric study of factors affecting the dust emission from poultry litter bed with
DEM-CFD coupling technique
Sayed M. Derakhshani1, Nico W.M. Ogink2, Bram A.P. Bos3, Peter W.G. Groot Koerkamp1,3
1
Wageningen University and Research, Wageningen, Netherlands
2
Wageningen Research, Wageningen, Netherlands
3
Wageningen Livestock Research, Wageningen, Netherlands
Keywords
Dust Emission, Poultry Farm, Computational Fluid Dynamics, Discrete Element Method.
Abstract
Poultry farming is one of the major agricultural sources of PM10 emission into the
environment. Fine dust emission from poultry litter bed has a significant effect on human
health, equipment, animal welfare, and the environment. According to a report in 2015,
about 17% of total fine dust in the Netherlands is caused by poultry houses which worries
citizens and Dutch governments, and thus have to be reduced.

The properties of the litter bed, chicken activity, and micro-climate conditions of poultry
house are a number of factors that affect the dust emission rate from poultry litter, but
precise quantitative effects and their interactions are hardly known. The aim of this study
is to conduct a parametric numerical analysis on the effect of poultry litter particle size
distribution, litter density and its moisture content along with the airflow velocity and its
direction on the dust emission rate. In this study, a CFD-DEM model as a numerical
technique was set-up to simulate the dust emission process from a poultry litter bed.

The CFD-DEM simulation results indicated that less dust is emitted from a litter bed with
higher moisture content which is in agreement with the scientific reports. We observed
that fine dust cannot be liberated from the litter bed by the airflow in the absence of
interaction between litter bed and an external moving object such as a chicken claw. This
can be interpreted that the fine particles are trapped between the coarse particles and
consequently they are not able to exchange sufficient energy with the airflow to be
released as dust particles. In addition, the parametric study on the direction of the airflow
over the litter bed indicated that more momentum is exchanged between fine particles
and the airflow at bigger angles of contact and more fine particles are released from the
litter bed into the environment.

270
 283: A Coupled DEM-SPH Modelling and Calibration Method for Mineral Slurries
Wei Chen1,2, Hongjie Yan1, Damian Glowinski3, Craig Wheeler2
1
Central South University, Changsha, China
2
The University of Newcastle, Callaghan, Australia
3
Bradken Resources, Bassendean, Australia
Keywords
DEM, SPH, Slurry, Mineral, Tailing
Abstract
Mineral processing is the most important stage of copper and gold production, during
which a comminution circuit is utilised to reduce the size of the ore materials for further
mineral enrichment processing. The comminution circuit often accounts for 30% ~ 50% of
the total production cost. The milling process, which may include systems such as ball
mills, semi-autogenous (SAG) mills and autogenous (AG) mills, presents challenges when
attempting to optimise the comminution circuit. This study present a coupling and
calibration framework for slurries in mineral processing circuits. A smooth particle
hydrodynamics method was utlised to model the water phase and to couple to DEM. The
coupling theoretical framework is developed. A rotary viscometer device was further
developed for the DEM-SPH calibration purpose. A suite of slurry samples was selected to
determine the rheological properties experimentally. DEM-SPH coupled simulations were
subsequently performed to calibrate the modelling parameters in order to reflect the
slurry properties in reality. The developed framework has demonstrated direct
applicability to the large scale mining operations globally.

271
 284: CFD-DEM Modelling and Analysis of Flow Regimes in Horizontal Hydraulic Pipeline
Conveying
Mengmeng Zhou1, Shibo Kuang2, Ruiping Zou2, Aibing Yu2
1
Monash University, Melbourne, Anguilla
2
Monash University, Melbourne, Australia
Keywords
Hydraulic conveying, CFD-DEM, fluid velocity, particle and fluid, multi-phase flow
Abstract
Hydraulic conveying is now widely applied in different industrial systems, such as mining,
chemical, ocean and petroleum. Through literatures review, we finding most researches
are focusing on macro information, like pressure drop, wear, solid concentration
distribution, these parameters are controlled by these micro information, such as particle
forces, particle flows, but, the analysis is yet rare. Generally knowledge is largely
known due to many studies and investigations. Nevertheless, the fundamental study is
still lacking, some complex phenomena, such as flow regimes and their transition are still
not be fully understanding. Therefore, for better controlling hydraulic conveying system,
flow regimes and their transition are quite important to be understood as it could get
command of the pressure drop and wear. According to this direction, the combing of
computational fluid dynamics (CFD) for liquid phase and discrete element method (DEM)
for solid phase is chosen to be used in this paper, which could show the particle motion
and flow characteristics. In addition, it not only has least assumptions, but also has
detailed information of forces between solid, wall and liquid. This paper is going to
develop the original 3D-model, and to reproduce various flow regimes and their transition
with different variables, forces between particle-particle, particle-pipe wall, particle-fluid,
are also be analyzed. This paper shows that this new developed model with CFD-DEM for
horizontal hydraulic pipeline conveying is reliable.

272
 285: Steady State Rheology of Homogeneous and Inhomogeneous Cohesive Granular
Materials
Hao Shi1,2, Sudeshna Roy2, Thomas Weinhart2, Vanessa Magnanimo2, Stefan Luding2
1
MercuryLab B.V., Enschede, Netherlands. 2University of Twente, Enschede, Netherlands
Keywords
Cohesion, Friction, Rheology, Contact Model, Shear Band, Shear Dilatancy
Abstract

This work aims at understanding the effect of different particle/contact properties like
friction, Softness and cohesion on the compression/dilation of sheared granular materials.
We focus on the local volume fraction in steady state of various non-cohesive, dry
cohesive and moderately-to-strongly, wet cohesive, frictionless-to-frictional soft granular
materials. The results from (i) an inhomogeneous, slowly sheared split-bottom ring shear
cell and (ii) a homogeneous, stress-controlled simple shear box with periodic boundaries
are compared.

The steady state volume fractions agree between the two geometries for a wide range of
particle properties. While increasing inter-particle friction systematically leads to
decreasing volume fractions, the inter-particle cohesion causes two opposing effects.

We have also considered here two cohesive contact models: (i) a linear reversible
cohesive model for dry particles resembling van der Waals forces, and (ii) a non-linear
irreversible cohesive model for wet particles resembles liquid bridges.

With increasing strength of cohesion for both soft and stiff particles, we report an
enhancement of the effect of contact friction by cohesion. For soft granular materials,
strong cohesion causes an increase in volume fraction due to significant attractive forces,
not visible for stiff particles. This behaviour is condensed into a particle friction -- Bond
number phase diagram, which can be used to predict non-monotonic relative sample
dilation/compression due to the opposing effects.

Apart from volume fraction, the macroscopic friction increases with inter-particle
cohesion following a power law trend, but not linear trend as in the previous works.

273
 286: Applications of a DEM-MBD coupled model of a vibrating screen in vibration analysis
Manuel Moncada, Cristian Rodriguez, Fernando Betancourt
University of Concepción, Concepción, Chile
Keywords DEM, dynamic model, vibrating screen, vibration analysis
Abstract Vibrating screen is one of the key equipment for mineral processing. Their proper
operation, including accurate vibration movement and slope angle, can provide the benefits of
energy savings and cost reductions in the screening process and the whole mining process [1]. The
most used approach to seek the optimal screening operational parameters is by discrete element
method (DEM). The input parameters of this method are the material properties, geometry
parameters and vibration parameters.
To obtain the movement of the screen body dynamic models are used, in which the ore is basically
regarded as a static inertia block and only improves the mass of screen body [2]. The empirical
evidence shows the influence of the ore on the movement of screen body [3], for that reason, a
more complex model is necessary in order to understand the operation of this machine that
considers the interdependence between DEM models and dynamic models.
In this work, we present a coupled DEM-MBD model of a vibrating screen that can obtain
an accurate movement of the screen body. It is useful in condition monitoring to analyze off-design
conditions and provide operation ranges. Simulations are carried out with data of an industrial
vibration screen used in copper industry and a laboratory scaled vibrating screen. Vibration analysis
is made by means of orbital analysis and frequency spectrum. Results show good agreement with
experimental data, and they are useful for condition monitoring engineers

References
[1] Moncada M. & Rodríguez, C. G. (2018). Dynamic Modeling of a Vibrating Screen Considering the
Ore Inertia and Force of the Ore over the Screen Calculated with Discrete Element Method. Shock
and Vibration, 2018, 1–13.
[2] Peng, L., Jiang, H., Chen, X., Liu, D., Feng, H., Zhang, L., Liu, C. (2019). A review on the advanced
design techniques and methods of vibrating screen for coal preparation. Powder Technology.
[3] Jiang, H., Zhao, Y., Duan, C., Yang, X., Liu, C., Wu, J., … Diao, H. (2017). Kinematics of variable-
amplitude screen and analysis of particle behavior during the process of coal screening. Powder
Technology, 306, 88–95.

274
 287: State, Connectivity, and Disorder in Dense Packings of Polydisperse Spheres
T. Matthew Evans, Yifei Ma
Oregon State University, Corvallis, OR, USA
Keywords
state, connectivity, disorder
Abstract

Dense particulate assemblies arise in a remarkable number of applications, from

pharmaceuticals to soils, mined materials, and metal powders. It is reasonably well-
understood that the bulk behavior of granular materials is an emergent manifestation of
collective interactions at the particle scale. Traditionally, structure at the particle scale is
characterized by tensorial metrics that quantify the magnitude and directionality of
contacts and forces between particles. These measures have been shown to be
inextricably linked to the engineering-scale behavior of jammed granular matter (i.e., the
so-called “stress-force-fabric” relationship). However, there is increasing interest in the
quantification of granular assemblies using other microscale descriptors, e.g.,
betweenness centrality (connectivity), keramicity (state), and entropy (information
content and disorder).

In this work, we present results of such analyses on a series of discrete element method
simulations of collections of polydisperse spheres. Specifically, hydrostatic, triaxial, and
shear loading conditions are applied on representative synthetic particle assemblies. The
relationship between tensorial metrics and other microscale descriptors is examined.
Outcomes from this study provide insights into the fundamental mechanisms that govern
the statistics and evolution of microscale metrics and also promote our understanding
that bridges micro- and macroscale response of granular materials.

275
 288: A DEM investigation of the micromechanics of non-active clays
Arianna Gea Pagano1, Alessandro Tarantino1, Vanessa Magnanimo2
1
University of Strathclydee, Glasgow, United Kingdom
2
University of Twente, Enschede, Netherlands
Keywords
Clays, Compressibility, Particle-scale behaviour
Abstract
The micromechanical behaviour of clays cannot be investigated experimentally in a direct
fashion due to the small size of clay particles. An insight into clay mechanical behaviour at
the particle scale can be gained via virtual experiments based on the Discrete Element
Method (DEM). So far, very few DEM models for clays have been designed, mainly on the
basis of theoretical formulations of inter-particle interactions with limited experimental
evidence.

This work presents a numerical investigation of the mechanical behaviour of non-active

clays. The underlying microscale mechanisms were inferred by indirect experimental
evidence [1] and used in this study to design the constitutive contact laws of a simple two-
dimensional DEM framework. Clay platelets were modelled as rod-shaped particles made
of spherical elementary units, designed to behave as single elements. New contact laws
including attractive and repulsive long-range interaction were designed in order to
simulate the positive/negative charge characterising the clay particle surface.

The contact laws were tested against the ability of the DEM framework to reproduce
qualitatively some aspects of the one-dimensional compression and shear behaviour of
clay observed experimentally. Specifically, these include the effect of pH and dielectric
permittivity of the pore-fluid on the virgin loading and unloading-reloading lines, the
dependency of the slope of the unloading-reloading lines on the pre-consolidation stress,
contractive/dilative and monotonic/non-monotonic behaviour under shear. Despite the
extreme simplicity of the proposed model [2], distinct microscale mechanisms could be
effectively linked with clay response at the macroscale.

[1] Pedrotti, M. and Tarantino, A., An experimental investigation into the micromechanics
of non-active clays. Géotechnique, 68(8), page 666-683 (2017).

[2] Pagano, A.G., Magnanimo, V. Weinhart, T. Tarantino, A., Exploring the

micromechanics of non-active clays via virtual DEM experiments, Géotechnique,
doi.org/10.1680/jgeot.18.p.060 (2019).

276
 289: Quantification of particle-induced mechanical stress on filamentous microorganisms
via CFD DEM simulations
Marcel Schrader1,2, Kathrin Pommerehne3,2, Rainer Krull3,2, Arno Kwade1,2
1Institute for Particle Technology, Braunschweig, Germany
2Center of Pharmaceutical Engineering, Braunschweig, Germany
3Institute of Biochemical Engineering, Braunschweig, Germany

Keywords CFD-DEM, shake flask, mechanical stress, filamentous microorganism, cultivation

Abstract Cultivations of filamentous microorganisms are of prime industrial interest because of their
production of various secondary metabolites like antibiotics. The productivity of the filamentous
system, however, is closely linked to the cellular morphology, which varies between freely dispersed
mycelia and dense bioagglomerates (pellets) depending among others on the mechanical stress. For
Lentzea aerocolonigenes the addition of glass beads (xmean = 969 µm, 100 g/L) to shake flask
cultivations led to a 14-fold increase in productivity compared to an unsupplemented control.
However, the intensity of the glass bead-induced mechanical stress is crucial for the productivity. On
the one hand, the right amount of mechanical stress may loosen up the pellet structure, which then
allows a better substrate and oxygen supply into the inner pellet. On the other hand, too high
mechanical stress decreases the productivity due to the destruction of the pellet structure or even
degradation of the microorganisms.
For a deeper understanding of these effects and further control of the productivity,
CFD-DEM-simulations were used for quantitation of the mechanical stress during a shake flask
cultivation. Characteristic parameters like the mean stress energy, stress frequency and particle
induced power input were obtained for different cultivation parameters like shaker speed, particle
size or particle concentration. Finally, experimental results like the pellet Feret diameter and the
product concentration were correlated with the characteristic parameters. In future, information
about the mechanical stress in shake flasks should be compared with CFD-DEM simulations of
stirred bioreactors for the development of scale-up criteria. Furthermore, DEM simulations of the
resolved bioagglomerate will be used to investigate structural changes due to the glass bead
induced mechanical stress.

The authors gratefully acknowledge financial support from the German Research Foundation (DFG)
in the Priority Programme 1934 DiSPBiotech – Dispersity, structural and phase changes of proteins
and biological agglomerates in biotechnological processes.

277
 290: Deformable and breakable DEM particle clusters for modelling plastic and brittle
porous materials
Luca Orefice1, Johannes Khinast1,2
1Research Center Pharmaceutical Engineering GmbH, Graz, Austria
2Institute for Process and Particle Engineering, Graz, Austria

Keywords Clusters, deformation, breakage, elasto-plastic interaction, granules, agglomerates,

porosity
Abstract

Decades of progress in Discrete Elements modelling enabled us to tackle problems of increasing

complexity and scale from many different areas of study. One of these is particle deformation and
breakage. Deformation of particles is key in fields such as powder compression and tableting or soil
mechanics; while breakage plays an important role in milling and geotechnics.
We present a model of deformable and breakable granular assemblies where elementary DEM
particles are brought together and form a stable cluster due to an attractive cohesive interaction.
Clusters can have arbitrary convex shapes and are mechanically stable like usual multi-spheres, but
unlike the latter bonds between components are not rigid and allow the elements to change their
relative distance. In this way, when subject to a sufficiently strong external force, the particle
arrangement can change and the body is permanently deformed. For even stronger tensile forces
particles can overcome their cohesive bonds and separate, with consequent local fracture that can
trigger the cluster breakage.
Using a simple cohesion interaction to hold the agglomerates together is less computationally
expensive than using multi-spheres, where the rigid body dynamics has to be prescribed. In our
implementation the collective dynamics is inherited by each single particle interaction, like what
actually happens in nature. Moreover, since clusters are obtained by direct compression of the
particle ensemble, the main properties of the former can be computed in advance. For instance,
radius and porosity of spherical clusters are analytically related to the components particle
properties, allowing an extensive control on both micro and macro structures of the agglomerate
generated.
The ability to control not only hardness and shape, but also the internal structure makes the model
ideal to replicate the behaviour of porous plastic or brittle materials, such as soil, pharmaceutical
powders and catalysts. Because cohesive interactions work also between particles of different
clusters, multiple granules can be directly compressed together to form a bigger ensemble. This
feature makes the model very promising for the study of powder compaction.

278
 291: Discrete element modeling as a tool for oscillatory cutting of rock
Bernd Grashof1, Dingena Schott1, Mario Alvarez Grima2, Rudy Helmons1
1
Delft University of Technology, Delft, Netherlands
2
IHC MTI, Delft, Netherlands
Keywords
Rock cutting, equipment, particle bonding, oscillations
Abstract

Rock cutting is a challenging process. Heavy equipment, large cutting forces, high wear
rates and large amounts of required energy are common challenges when cutting rock.
Traditionally, rock cutting is based on a linear motion of the cutting tool. However, a
significant improvement on the cutting performance is expected when using non-linear
cutting techniques. Non-linear cutting can be achieved by using an actuator to create a
vibrating or oscillating motion on top of the linear forward motion of the cutting tool. The
focus in this paper is on the oscillating undercutting disc cutter. This disc attacks the rock
like a chisel or pickpoint, aiming at a cutting process dominated by tensile failures.

Although the discrete element method has been successfully used for various rock cutting
processes, all these processes are based on linear rock cutting tools and most of these
researches are based on 2D simulations. The use of a 3D approach is necessary to enable
the simulation of oscillatory rock cutting tools.

This paper utilizes discrete element method in 3D to investigate non-linear cutting

processes, especially the effects of the design parameters such as frequency, velocity and
eccentricity of the cutting tool. To resemble rock-like materials the particles are placed in
a dense particle assembly and they are bonded together through perfect brittle elastic
bonds. The bonds can fail in shear and in tension, allowing the dominant failure
mechanisms, i.e. shear and tensile cracks, to occur. After failure of these bonds, particles
can still interact through collisions.

The simulation results show the effect of the tested design parameters and are compared
with analytical models and actual experiments of oscillating undercutting discs.

279
 292: 3D DEM analysis of deformation and failure in inherent anisotropic rocks
Yulong Zhang1,2, Jianfu Shao1,2
1KeyLaboratory of Ministry of Education for Geomechanics and Embankment Engineering, Hohai University,
Nanjing, China
2Laboratory of Multi-physics and Multi-scale Mechanics, FRE2016, CNRS, University of Lille, Villeneuve d'Ascq,

France
Keywords Anisotropic rocks, Weak layers, Smooth joint contacts, Nonlinear bond model

Abstract A class of rock-like materials such as sedimentary and metamorphic rocks are inherent anisotropic
rocks. Deformation and strength properties of such rock materials are strongly dependent on the loading
orientation with respect to the fabric elements. Despite significant advances in analytical approaches including
experimental and phenomenological ones, the key issue remains the description of the local cracking mechanism
of anisotropic rocks. In this paper, a three dimensional discrete element (DEM) is proposed in the framework of
the particle flow code (PFC). Compared with many existing studies on anisotropic rocks, the emphasis is devoted
to capturing the failure process of cohesive interface at particle-based dimensional in inherent anisotropic rocks
under a large range of confining stress. For this end, a numerical procedure for the generation of anisotropic
rock samples is first presented in which the mechanical behavior of the matrix is described by bond contacts
while that of weak layers by smooth joint contacts. Unlike general simple bond models using a linear failure
criterion, a unified non-linear bond model is proposed and introduced in both band and smooth joint contacts.
For this model, the elastic and strength parameters depend on the orientation of bond contacts. In particular, its
shear strength is a non-linear function of normal stress, which has the ability to reproduce the mechanical
strength of rocks in a wide range of confining stress. The proposed model is implemented into the standard
particle flow code. Comparisons between experimental data and numerical predictions performed on a
representative inherent anisotropic rock, Tournemire shale, have shown that the proposed model was able to
well reproduce the effect of confining stress on the elastic and strength properties of anisotropic rocks. Further,
a series of three-dimensional numerical simulations are performed for different orientations of weak layers and
confining stresses. The effect of weak layer and confining stress on both local cracking process and macroscopic
failure mode of rock samples is investigated and discussed. Correspondingly, the failure mechanism respectively
in matrix and weak layer has been studied, especially capturing the failure evolution from the diffused micro-
cracks to forming local fracture band.

Figure 1: Spatial distribution of diffused micro-cracks and displacement in samples (1Mpa)

280
 293: Mineral Ore Grinding Mill Power Prediction with Polyhedral Particle DEM Simulation
Raj Rajamani1, Nicolin Govender2,3, Alberto Puga1
1University of Utah, Salt Lake City, USA
2University of Surrey, Guilford, United Kingdom
3University of Johannesburg, Johannesburg, South Africa

Keywords
polyhedral particles, linear contact model, mill power, three dimensional, GPU
Abstract
In the mining industry very large grinding mills are the work horse of grinding ore particles from 0.2
m size to a size below 150 microns. Since these mills consume anywhere from 2 MW to 20 MW
power, the prediction of power in such mills was pursued by the lead author in 1990s using DEM. In
the beginning, mill power was predicted with two-dimensional DEM simulation in which a thin slice
of the mill was simulated, and the computed collision energy was summed. Later, three-dimensional
simulations came into the fore, yet due to the very large size of mills, the prediction of mill power
with these codes was done only in a select few studies. Besides, in all these simulations, the rock
particles and steel grinding balls were modeled as spheres. However, some other authors attempted
representing irregular shapes with jointed-spheres and the like.

We present a fresh attempt at predicting power by modeling the rock particles as polyhedral
particles with angular edges. The Blaze-Dem code with GPU computing capability is used in these
simulations. The polyhedral representation is as close to one can get to replicating rock particles. Of
interest here is the semi-autogenous grinding mill in which very large rock particles and grinding
balls undergo tumbling motion inside the cylindrical mill body. These mills draw power in the range
of 10 to 20 MW. First, we present experimental results in a 90 cm diameter mill in which various
ratios of rock to particle mass is filled and operated at different mill speeds. The power draw of the
90 cm mill varies between 450 to 820 watts depending on the charge filling and mill speed. We then
show that the linear spring-dashpot model with history dependent tangential spring-dashpot can
predict the mill power as well as charge motion. Next we present the corresponding spherical
particle simulations and show the differences in charge motion due to angularity of the particles and
smoothness of the particle surface. Next, we present the three dimensional DEM simulation of plant
scale simulation of two semi-autogenous mills, 12.6 m diameter and 7.6 m long and 10.98 m
diameter and 8.08 m long. The comparison of polyhedral DEM simulation with plant data confirms
the capability of such simulations.

The polyhedral particle simulation with GPU computing is a key advancement in the discrete
element algorithms. Such simulations lead to optimum design of lifters in mills as well as pointing
the way for random fracture of particles in DEM simulations.

281
294: A practical simulation approach for coarse-grain DEM calibration using angle of repose
Ehsan Askari Mahvelati 1, Micael Boulet 2, Marlene Sanjose 1, Stephane Moreau1
1
Sherbrooke University , Sherbrooke, Canada
2
Enerkem, Sherbrooke, Canada
Keywords
Coarse-grain; DEM; Angle of Repose; Simulation
Abstract

Coarse-grain DEM (CG-DEM) is a practical modeling approach to simulate a commercial

scale system. In CG-DEM, the simulated grains generally have neither the size nor the
shape of actual particles. Typical figures are coarse-grain one order of magnitude bigger
(diameter wise) than particle and having a spherical shape. At the microscale, the coarse-
grain then only has a weak physical connection to the actual particle. Hence, as generally
accepted, a macroscopic perspective is preferred for calibration of CG-DEM parameters.
The angle of repose (AOR) indeed sits among the most popular and accessible
macroscopic measurement for that purpose.

However, due to the relatively large size of coarse-grain, it is not granted that a lab scale
AOR experimental procedure is suitable for direct replication in CG-DEM simulation setup.
The truth is, there is no need to simulate the experiment directly, given the property of
interest is experiment independent, which should, theoretically, be the case when
defining AOR as the steepest slope that the material can be heaped without collapsing.
Although not as easy as it might appear, AOR experimental determination is a one-time
effort for a given material. It is a different story for CG-DEM simulation when seeking to
calibrate a parameter set. In that case, several simulations are to be performed.

Current study hence explores CG-DEM simulation procedure for the determination of the
angle of repose (AOR) with shortest simulation time duration and as few as possible
particles. Various methods are explored and varied in term of absolute geometry size. A
hybrid and progressive approach are suggested, starting by quickly forming the bulk of the
heap to end by slow pouring. A minimum heap size is also suggested, relative to grain size.
A case study is shown, mapping AOR as a function of rolling resistance, static friction, and
dynamics friction, performing several hundred simulations within a reasonable timeframe.
Result forms a 3D space for which solution for a given granular material lies on a surface.
Although insufficient to identify a unique parameter set, the method is useful when part
of a broader series of experiment, including, as an example, hopper flow rate or the likes.

282
 295: A Coupled CFD-DEM Simulation of Transport, Settlement and Plugging Behavior of
Polydisperse Particles in Narrow Rectangular Channels
Chong Lin1,2, Yili Kang1, Chengyuan Xu1, Jingyi Zhang1
1State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum
University, Chengdu, China
2Pennsylvania State University, State College, USA

Keywords
CFD-DEM, polydisperse particles, transport, settlement, plugging, narrow rectangular channel
Abstract
Transport, settlement and plugging behavior of polydisperse solid particles inside a fracture plays a
vital role in many on-site operations during exploration and development of hydrocarbon resources.
For instance, mud cake formation, lost circulation control, proppant placement, water injection,
sand control, etc. These operations are usually unpredictable due to the lack of understanding of
particle motion behavior feature. However, conventional laboratory experiments usually can only
obtain macroscopic results instead of the microscopic mechanism. To solve this issue, we developed
a numerical model to study the multi-scale behavior of the polydisperse particles inside narrow
rectangular channels.
An unresolved CFD-DEM model for polydisperse particles flowing inside a narrow rectangular
channel is developed based on an open source framework CFDEM®, which is a couple of
OpenFOAM® and LIGGGHTS®. Validation of the model is completed by comparing numerical results
and experimental results of particle settling and proppant displacement. Influence of size
distribution, concentration, physical properties of the particles, flowing parameters and channel
geometry on the polydisperse particles motion is discussed.
The transport, settlement and plugging behavior of polydisperse particles inside a narrow
rectangular channel is significantly depending on the particle, fluid and flowing channel. In the low
particle concentration case, large particles transport a longer distance and settle faster than small
ones. Two distinguishing particle settlement zones are obtained: one large particles settlement zone
near the inlet and another small particles settlement zone far from the inlet. As the particle
concentration increases, the positions of the two particle settlement zones are reversed because of
the interaction between particles. When a critical concentration is approached, a plugging zone is
observed, which is formed through two primary mechanisms: gravity settlement and constriction
capture. The far moving large particle can directly bridge and plug the nature constriction in a
narrow rectangular channel. The flowing particles will be captured by the previously settled particles
and bridge in the secondary constriction to form a strong plugging zone. The plugging zone usually
experiences multiple forming-breaking-reforming cycles depending on channel compliance and keep
moving toward the narrow rectangular channel outlet during the plugging process.
Increasing the particle size and concentration will improve the plugging probability and decrease
plugging penetration depth. A low particle density leads to a long transport distance and a far
settlement and plugging zone. Nonuniform size distribution and high-friction particles facilitate
narrow rectangular channel plugging more effectively than the uniform ones. An optimal flow rate
range exists for a solid, tight and stable plugging zone. The vertical channel is found to be more
feasible to plug than the horizontal one and rough channel is more likely to be plugged than a
smooth one.

283
 296: Contribution of Frictional Interactions to Discontinuous Shear Thickening
Beybin Ilhan, Hao Shi, Frieder Mugele, Michel H. G. Duits, Stefan Luding
University of Twente, Enschede, Netherlands
Keywords
Discontinuous Shear Thickening, friction, roughness, rolling resistance
Abstract
Discontinuous shear thickening (DST) of concentrated suspensions (either Brownian or
non-Brownian particles in a Newtonian liquid) is a remarkable phenomenon which arises
as a drastic increase (several orders of magnitude) in viscosity at a critical shear
rate/stress. Recent studies attributed the driving mechanism of DST to the transition from
lubricated to frictional contacts [1-3]. While recent experimental [1] and numerical
studies[2-4] aim to shed light on the underlying details of this transition, there is also a
need for numerical studies to characterize the effect of frictional interactions among the
dispersed particles. For this study we have focused on the minimum set of required
components to capture (D)ST behavior in dry particulate media. To demonstrate the sole
contribution of frictional interactions; we neglect hydrodynamics, electrostatics, and
inertia effects. We demonstrate that frictional contact forces can be responsible for shear
thickening as the particle volume fraction increases. After a certain volume fraction, DST
can be observed. We studied this behavior over a range volume concentrations and
different combinations of sliding friction and rolling resistance. The main novelty lies in
the use of the rolling-resistance, which represents a torque without force, and makes a
direct link to particles with varying surface properties ie., surface roughness. Starting from
smooth spheres, sliding friction and rolling resistances has been systematically varied and
their influence on the rheology was obtained in the form of relevant dimensionless
variables.

284
 297: A discrete approach for modeling of anchoring bolting in rock masses
Chi Yao, Jianhua Yang, Chuangbing Zhou, Qinghui Jiang
Nanchang University, Nanchang, China

Keywords Bolting, excavation, reinforcement effect, anisotropy, shear band

Abstract In the framework of the extended rigid block spring method (RBSM), a numerical algorithm is
proposed for simulation of anchoring bolts in rock masses. This algorithm is based on two assumption: (1)
Only axial tensile stress is considered in bolts, shear stress along or across bolts not considered; (2) anchor
bolts are fixed at both ends. The perfect elastic plastic model is used to describe the stress-strain
relationship and failure behavior of bolts. The model is firstly used to investigate the effects of bolts on
uniaxial compressive strength (UCS) of isotropic rocks. Four numerical UCS tests are conducted,
respectively with 0, 4, 9, 19 hair-like anchor bolts. The stress-strain curves for UCS tests with different
number of bolts are shown in figure 1. It can be observed that peak strength, residual strength and
Young’s modulus are all increased compared to the test with no bolts. Peak strength are increased by
8.08%, 15.19% and 27.6%, respectively for rocks with 4 bolts, 9 bolts and 19 bolts. The micro-failure
mechanism is investigated, it is found that as bolts number increases, the ratio of shear crack number to
tensile crack number increases. The effects of bolts on strength anisotropic degree of anisotropic rocks
are also investigated. Results for UCS of rocks with different bedding plane orientation reinforced by
different number of bolts are shown in figure 2. The relationship between UCS anisotropy and bolts
number is shown in figure 3. It is very clear that the UCS anisotropy degree decreases as bolts number
increases. Finally, the model is further applied to model anchoring effects in an excavated tunnel. It is
found that bolts can significantly reduce the size of excavation damaged zone and convergence
displacements.

Figure 1 Stress-strain curves for uniaxial compressive tests with different number of bolts

Figure 2 UCS of rocks with different bedding Figure 3 Relationship between strength
plane orientation reinforced by different anisotropy and number of bolts
number of bolts

285
 298:Working principles of the viscosity of nanoparticulate suspensions derived from CFD-
DEM simulations
Benedikt Finke, Arno Kwade, Carsten Schilde
TU Braunschweig - Institute for Particle Technology, Braunschweig, Germany
Keywords
viscosity, suspension, CFD-DEM, genetic algorithm, nanoparticle
Abstract

The viscosity of nanoparticulate suspensions is known to be dominated by particle-

particle interactions due to surface forces. Yet, quantitative characterization of these
interactions is demanding, which is why a quantitative modelling of the viscosity has
proven to be difficult. DEM allows a detailed characterization of the interaction forces
and, coupled with CFD, was used to elucidate the working principle that links interaction
forces with the rheological behavior of the suspensions. From the elucidated relationship,
a mechanistic model for the viscosity of nanoparticulate suspensions could be derived and
used to predict the viscosity based on physical material and system parameters. Required
proportionality parameters were obtained by subjecting the derived model to an
approximation with a genetic algorithm.

286
 299: Direct simulation of wave propagation in fully saturated granular packings using
coupled LBM-DEM
Hongyang Cheng1, Stefan Luding1, Jens Harting2, Vanessa Magnanimo1
1
University of Twente, Enschede, Netherlands
2
Helmholtz Institute Erlangen-Nürnberg for Renewable Energy, Nürnberg, Germany
Keywords
Wave propagation, Lattice Boltzmann method, Discrete element method, Biot's theory
Abstract

Biot's theory predicts wave velocities in a saturated granular medium using the properties
of the solid skeleton and pore fluid, but neglects the interaction between constituent
particles and local squirt flow, which becomes essential as the wavelength decreases. In
this work, we explore the missing ingredients in Biot's macroscopic description of wave
propagation, by mean of particle-based numerical simulations. The lattice Boltzmann
method (LBM) and the discrete element method (DEM), which resolve the pore-scale
hydrodynamics and intergranular behavior, respectively, are two-way coupled to simulate
wave propagation in saturated granular packings.

After comparing existing the two existing coupling schemes, we apply isotropic
compression on a fully-saturated packing of polydisperse, frictional spheres to study the
influence of the pore fluid on the acoustic behavior. An oscillating pressure boundary is
used to emit acoustic waves from the fluid boundary.

The dispersion relations of the saturated granular packings are obtained from coupled
LBM-DEM simulations, while DEM simulations provide the dispersion relations of the
corresponding dry solid skeleton, as well as its long-wavelength elastic moduli. Using
these as input, the wave velocities in the saturated system are computed with Biot's
theory and compared with the numerical results from the LBM-DEM simulations.

287
 300: Particle contact parameter calibration with response surface method: an example of
particle charging in the ironmaking blast furnace
Ping Zhou1, Dongling Wu1, Enxue Zu1, Chenn Zhou2, Chunhua Yang1, Wei Chen1
1
Central South University, Changsha, China
2
Purdue University, Hammond, USA
Keywords
Contact parameter calibration, Repose angle, Repose surface method, Blast furnace
Abstract

Contact parameter calibration is critical to predict interparticle interactions in the discrete

element method (DEM) simulation. This work employed a general and efficient method
for contact parameter (coefficient of static friction, rolling friction and rolling viscous
damping) calibration with the use of the response surface method (RSM) and the repose
angle experiment. The DEM simulations based on Hertz-Mindlin model and elastic-plastic
spring-dashpot rolling friction (EPSD) model were carried out, and three significant
prediction models for coke, sinter and pellets were established. According to the
prediction model, three contact parameters can be calibrated. Then, the investigation of
parameter sensitivity suggests that coefficients of static friction and rolling friction have
remarkable influence on the repose angle. Further investigations of the model robustness
prove the suitability of the three models in predicting the reliable contact parameters
between particles with different particle density, particle size distribution and particle
shape.

288
 301: Prediction of Flowability of Formulated Products at High Strain Rate Conditions
Mehrdad Pasha, Xiaodong Jia, Mojtaba Ghadiri
University of Leeds, Leeds, United Kingdom
Keywords
Cohesion, Bond number, Formulation, Prediction, Flowability, Distinct Element Method
Abstract Particulate solids are one of the key ingredients for products manufactured by
many industries such as pharmaceuticals and food. Several types of particulate solids are
typically mixed to manufacture the final product with a certain specifications. As a
consequence, these powders undergo various manufacturing processes such as, mixing,
storage, conveying, etc. In all these manufacturing processes the physical behaviour of
the powder is at least as important as their chemistry. Stability, content uniformity,
manufacturing difficulties, and performance of the products are mainly determined by
decisions made during the formulation process. Therefore, a need for more fundamental
understanding of performance and behaviour of formulated products is needed.

Virtual Formulation Laboratory (VFL) collaborative project between University of Leeds,

University of Leicester, University of Greenwich, and Imperial College of London is formed
to address this gap. The aim here is to develop a software tool for prediction and
optimisation manufacturability and stability of advanced solids-based formulations,
specifically for evaluation of their flow, extent of segregation, degree of mixing, and
compatibility. The overall aim of the project are (a) to develop the science base for
understanding of surfaces, particulate structures and bulk behaviour to address physical,
chemical and mechanical stability during processing and storage and (b) to incorporate
these into a software tool (VFL) which accounts for a wide range of material types, particle
structures and blend systems to enable the formulator to test the effects of formulation
changes in virtual space and check potential problems covering the majority of
manufacturing difficulties experienced in production plants.

In this study, we present our work on prediction of flowability of binary and ternary
mixtures under dynamic conditions using Discrete Element Method analysis of Freeman
FT4 rheometer. It is found that granular bond number, which is the ratio inter-particle
adhesion force to gravitational force correlates well with the flow energy measured by
Freeman FT4 rheometer for binary mixtures. Three averaging methods are used to
calculate the mixture bond number by introducing a weighing factor based on fractional
surface area of each component in the mixture. The granular mixture bond number is
varied by modifying interfacial surface energy, density and size of each mixture
components. The outcome of this study can be used to expand its applicability for
prediction of flowability of multi-component powder mixtures.

289
 302: Analysis of the Dynamics of Acicular Crystals in an Agitated Bed
Wei Pin Goh1, Kushal Sinha2, Raimundo Ho2, Shailendra Bordawekar2, Ahmad Sheikh2,
Mojtaba Ghadiri1
1
University of Leeds, Leeds, United Kingdom
2
AbbVie Inc, North Chicago, USA
Keywords
DEM, Particle Shape, Agitated Beds
Abstract

Agitated filter bed dryer is the unit operation of choice in the pharmaceutical industry for
separation of the solids from mother liquor after crystallisation process. The impeller is
rotated intermittently to promote homogenous heat transfer within the wet cake.
However, the shear deformation induced by the impeller could lead to unwanted
breakage of the crystals, adversely affecting the product quality and processing of the
solids.

A large fraction of active pharmaceutical ingredients are acicular in shape and are very
prone to breakage during the agitated drying process. Apart from shear deformation,
highly acicular particles are also subjected to bending when the particles in front of the
blades are ploughed over the blades, snapping them into smaller fragments. Discrete
element method (DEM) is used in this work to simulate the dynamics of faceted particles
with high aspect ratio in an agitated bed. Particle shape is modelled using faceted
polyhedron. The simulation is validated experimentally by comparing the torque recorded
in a custom-built miniaturised agitated filter bed dryer. The effect of particle shape on the
stress and strain distributions within the particle bed are analysed, in addition to the
influence of impeller rotation speed. The outcome of the work is reported, providing an
insight into the role of particle shape, especially faceted and acicular, as well as platy-like,
in the particle bed dynamics and the prevalent particle breakage behaviour in agitated
beds.

290
 303: Particle shape effects for industrially relevant simulations using polyhedra particles
Nicolin Govender1, Charley Wu1, Daniel Wilke2
1
University of Surrey, Guildford, United Kingdom
2
University of Pretoria, Pretoria, South Africa
Keywords
Polyhedra, DEM, Large Scale, Packing
Abstract
In blast furnaces, burden topography and packing density affect the stability of the
burden, permeability of gas flow as well as the heat transfer efficiency. A fundamental
understanding of the influence and interaction of coke and ore particles on the burden
topography and packing density is therefore essential, in particular the influence of
particle shape polydispersity and particle size polydispersity. In this talk we look at the
effect of particle shape and size polydispersity on the coke and ore charge distribution
inside a bell-less blast furnace using the discrete element method (DEM). A comparative
study between spheres, with rolling friction to account for shape, and polyhedra is
conducted for shape and size polydisperse particle systems. In

291
 304: Advances in DEM simulations using GPUs
Nicolin Govender1, Daniel Wilke2
1
University of Surrey, Guildford, United Kingdom
2
University of Pretoria, Pretoria, South Africa
Keywords
GPU, Polyhedra, Large Scale
Abstract
The Discrete Element Method (DEM) is the most commonly used numerical method for
the simulation of granular material. However the computational cost of the
DEM has limited the number and shape estimation of particles. In this talk we look
at the Graphical Processor Unit (GPU) as an alternative computing platform to the
CPU that has enabled detailed particle shapes such as polyhedra as well as an increase in
particle number to tens of millions within a realistic time frame.
In particular we will consider the effect of particle
shape in various industrial devices such as slios, mixers, mills as well as the
charging process of blast furnaces in the steel making industry. We show that the
effect of particle shape cannot be ignored and needs to be taken into account in the
optimization/design of these process. It is also made apparent that the use of GPU
computing enables a new performance level in DEM simulations making it more tractable
to industrial applications and design optimizations.

292
 305: SudoDEM: a new open-source discrete element code for modeling of non-spherical
granular particles
Shiwei Zhao, Jidong Zhao
The Hong Kong University of Science and Technology, Kowloon, Hong Kong
Keywords
discrete element, granular, non-spherical, particle shape, super-ellipsoid, polyhedron,
open source
Abstract

This paper introduces a new open-source discrete element code, SudoDEM, for modelling
non-spherical particles in both 3D and 2D. Developed from another popular open-source
code YADE, the code inherits a classic DEM framework enpowed by OpenMP acceleration,
and provides a rich library of particle shapes, including super-ellipsoid, cylinder, cone,
polyhedron for 3D, and disk, super-ellipse for 2D. More complex particle shapes can be
readily obtained by clumping these basic shapes. Two general and efficient contact-
detection algorithms, the parametric common normal algorithm and the Gilbert-Johnson-
Keerthi algorithm, have been developed to handle contacts among complex shaped
particles. Example simulations (including granular packing and triaxial compression) are
demonstrated as validation and showcase of the robustness and flexibility of SudoDEM.

293
 306: Deformable and breakable DEM particle clusters for modelling plastic and brittle
porous materials
Luca Orefice1, Johannes Khinast1,2
1Research Center Pharmaceutical Engineering GmbH, Graz, Austria
2Institute for Process and Particle Engineering, Graz, Austria

Keywords
Clusters, deformation, breakage, elasto-plastic interaction, granules, agglomerates, porosity
Abstract

Decades of progress in Discrete Elements modelling enabled us to tackle problems of increasing

complexity and scale from many different areas of study. One of these is particle deformation and
breakage. Deformation of particles is key in fields such as powder compression and tableting or soil
mechanics; while breakage plays an important role in milling and geotechnics.
We present a model of deformable and breakable granular assemblies where elementary DEM
particles are brought together and form a stable cluster due to an attractive cohesive interaction.
Clusters can have arbitrary convex shapes and are mechanically stable like usual multi-spheres, but
unlike the latter bonds between components are not rigid and allow the elements to change their
relative distance. In this way, when subject to a sufficiently strong external force, the particle
arrangement can change and the body is permanently deformed. For even stronger tensile forces
particles can overcome their cohesive bonds and separate, with consequent local fracture that can
trigger the cluster breakage.
Using a simple cohesion interaction to hold the agglomerates together is less computationally
expensive than using multi-spheres, where the rigid body dynamics has to be prescribed. In our
implementation the collective dynamics is inherited by each single particle interaction, like what
actually happens in nature. Moreover, since clusters are obtained by direct compression of the
particle ensemble, the main properties of the former can be computed in advance. For instance,
radius and porosity of spherical clusters are analytically related to the components particle
properties, allowing an extensive control on both micro and macro structures of the agglomerate
generated.
The ability to control not only hardness and shape, but also the internal structure makes the model
ideal to replicate the behaviour of porous plastic or brittle materials, such as soil, pharmaceutical
powders and catalysts. Because cohesive interactions work also between particles of different
clusters, multiple granules can be directly compressed together to form a bigger ensemble. This
feature makes the model very promising for the study of powder compaction.

294
 309: CFD-DEM modelling of non-spherical particles in an industrial context
Miguel Angel Romero-Valle1,2, Christoph Goniva3, Hermann Nirschl2
1
BASF SE, Ludwigshafen, Germany
2
Karlsruhe Institute of Technology, Karlsruhe, Germany
3
DCS Computing GmbH, Linz, Austria
Keywords
CFD-DEM, DEM, drag, multisphere, non-spherical particle
Abstract
The continuous development of existing and new functional material systems, where
particulate morphology differs from spherical systems (e.g. fibres, flakes, …), demands
technical know-how on the processing of non-spherical particles. Therefore, tools are
needed to aid in process design and further understand non-spherical systems.

On this work, an overview of different approaches for the modeling of non-spherical

particles on the context of industrial particle simulations is presented. Additionally, a
novel approach for the computation of orientation dependent drag and hydrodynamic
torque for multi-sphere DEM particles is presented.

First, the multi-sphere, super-quadric and convex-hull geometric DEM representations are
described with industrial-relevant examples depicting its advantages and disadvantages.

Furthermore, A novel drag model for multi-sphere particles, which considers orientation
dependency and hydrodynamic induced torques, is presented. The approach is inspired by
Stokesian Dynamics as done by Joung (2006) with multiple bonded spheres. Its validity is
shown by comparing results to analytical solutions of single non-spherical particles. A
study on the number of spheres needed to correctly represent the drag behavior of the
non-spherical particle is shown.

Lastly, different drag correlations used in CFD-DEM coupling for multi-sphere particles are
presented by evaluating a fluidized bed containing spherocylindrical particles. Calibration
strategies are discussed and a comparison to experimental data is presented.

295
 310: Elastic modulus and thermal conductivity of granular materials with nonspherical
grains of high packing density and soft interphase
Wenxiang Xu, Zheng Gong
Hohai University, Nanjing, China
Keywords
granular materials; soft interphase; elastic modulus; thermal conductivity; DEM-FEM
Abstract
The physical and morphological properties of particles and interphases can seriously
impact the whole physico-mechanical behavior of particle-reinforced composites (PRCs).
In this work, we devise a robust coupling model of the discrete element method (DEM)
and finite element method (FEM) to numerically investigate the effective elastic modulus
and thermal conductivity of three-phase particle-reinforced composites consisting of
elliptical particles of high packing density, soft interphase and matrix, as shown in Fig. 1. In
the numerical model, a novel parametric equation of the interphase is proposed to realize
a soft (penetrable) layer with a constant finite thickness coated surrounding
each hard elliptical particle. Additionally, a convenient strategy is implemented to cope
with periodic boundary conditions containing numerous particles. On the other hand, we
also apply a micromechanical theory to calculate the effective elastic modulus and
thermal conductivity of such three-phase composites by incorporating the fraction of soft
interfaces. We show that our numerical and theoretical models lead to predictions of the
elastic modulus and thermal conductivity of particle-reinforced composites with
nonspherical particles of a high volume fraction to a reasonable accuracy by comparing
with available experimental data. Moreover, utilizing our models, we systematically
investigate the influence of the characteristics of particles and interphase such as
geometric size and aspect ratio on the elastic modulus and thermal conductivity of
particle-reinforced composites. We find that these physical characteristics play significant
roles in determining the physical and mechanical properties of composites, suggesting
that the properties of such materials can be tailored via proper composites engineering
and design.

296
 311: Unifying size-topology relationship in random packings of polydisperse adhesive
spheres
Wenwei Liu1, Chuan-Yu Wu1, Sheng Chen2, Shuiqing Li2
1
University of Surrey, Guildford, United Kingdom
2
Tsinghua University, Beijing, China
Keywords
polydisperse, packing, adhesive, Discrete Element Method
Abstract
We study the size-topology relationship in random packings of polydisperse adhesive
microspheres with a wide range of global packing fractions through a geometric
tessellation. We find that the dependence of the neighbour number on the center particle
size is always quasilinear, independent of the size span and interparticle adhesion. The
averaged local packing fraction as a function of normalized particle size for different
polydispersities is well regressed on the same profile, which increases to larger values as
the mean particle size increases. The local coordination number-particle size profile
coalesces into a master curve for all the adhesive particles, but will transfer to another
branch for non-adhesive particles. Such size-topology relations are described theoretically
by an extended geometrical “granocentric” model, which was applied previously to
analyse jammed packing of granular matters and compressed emulsions. Our findings,
together with the modified theory, provide a more unified perspective on the internal
geometry of amorphous polydisperse systems, especially those with relatively loose
structures.

297
 313: Continuous-based cement hydration model of non-spherical particles and diffusivity
of cement paste
Zhigang Zhu, Wenxiang Xu
College of Mechanics and Materials, Hohai University, Nanjing, China
Keywords
granular materials, cement hydration; non-spherical; degree of hydration; porosity;
diffusivity
Abstract
Cementitious composites as a typical granular material, their macroscopic properties are
closely related to the microstructure generated by cement hydration. Currently, most of
the cement hydration models are dominated by spherical particles. However, the actual
shape of cement powder is non-spherical during the process of grinding of cement clinker,
and the hydration of non-spherical cement particles is still an open issue. In this study, a
continuous-based cement hydration model for non-spherical cement particles is
proposed, which is inspired by the famous HYMOSTRUC model. In the theoretical model,
the kinetics of an individual cement particle are derived via its morphological features,
and two types of rate-controlling mechanisms are adopted in hydration. For a simulated
cement paste with multi-sized particles, the effects of particle interaction on the
penetration rate are considered in the spatial model for the presence of incompletely
hydrated particles in the outer shell of the central particle. Subsequently, five kinds of
polyhedron-shaped cement particle are taken as an example to illustrate the construction
approaches of hydration products and unhydrated cores, and they are employed to
generate the microstructure of the simulated cement paste. Furthermore, the proposed
theoretical model is validated by experimental results. The evolutions of the thickness of
hydration products layers and the degree of hydration of simulated cement paste over
time are investigated for different diameters. Results reveal the fact that the penetration
rate and the degree of hydration reduce with increasing particle diameter. Besides, results
also display that the cement particle shape has a significant impact on the microstructure
and diffusivity of cement paste, mainly reflect on the degree of hydration increase with
decreasing of sphericity of cement particle under the same w/c ratio and hydration time
conditions. It also indicates that the porosity of the cement paste increase with increasing
sphericity of the particle and w/c ratio, and relative diffusivity of hardened cement paste
reduces with increasing degree of hydration, with decreasing sphericity of the particle and
w/c ratio. The purpose of this study is an attempt to explore a theoretical framework for
non-spherical cement particles in hydration model. We expect that it will contribute to
understand the influence of cement particle shapes on cement hydration and the
development of the microstructure of cement paste, and further on the macroscopic
properties of cementitious composites.

298
 314: Influence of stress path on the contribution of fine particles in a gap-graded soil
matrix
Mehrdad Ahmadi1, Mahdi Miri Disfani1, Amirhassan Mehdizadeh1, Thomas Shire2
1The University of Melbourne, Melbourne, Australia
2The University of Glasgow, Glasgow, United Kingdom

Keywords Discrete Element Method, suffusion, stress path, semi-active fine particles
Abstract Internal erosion is one of the main causes of embankment dam failures. Internal erosion
happens in different forms including suffusion, which particularly impacts the non-cohesive fine
particles in a soil with a load-carrying structure made of coarse particles. Suffusion can impact a
soil’s mechanical behaviour due to alteration in the soil’s stress-transmitting matrix caused by
removal or relocation of fine particles. Susceptible cohesionless soils to loss of their fine particles
due to seepage flow are known as "internally unstable" such as some gap-graded soils.
It is believed that the contribution of fine particles to the soil stress matrix in gap-graded soils
depends on both the fines content and the gap ratio (the particle diameter ratio between coarse
and fine fractions of particle size distribution curve). The fine particles’ contribution to the soil stress
matrix can be quantified through their stress reduction factor (α, the ratio of effective stress carried
by fine particles to the effective stress of soil stress matrix) and their coordination number. Fine
particles can sit loosely (i.e. inactive in stress transfer), provide lateral support to the soil stress
matrix (semi-active) or actively carry a load at the same level as coarse particles (active). Whether
fine particles will play an inactive, semi-active or active role will be crucial to their susceptibility to
suffusion and will depend on a number of factors including the stress path that the soil is subjected
to. The stress path can alter the semi-active fine particles’ role severely. Therefore, the most
complicated scenario would happen when fine particles are semi-active.
As the direction of seepage flow can alter the stress state of soil, it is important to investigate the
effect of stress path on the semi-active fine particles’ role and the impact of their removal by
hydraulic forces on the mechanical behaviour of soil. Hence, this paper investigates the impact of
the stress path on the semi-active fine particles in internally unstable soils with varying fine contents
and gap ratios.
Discrete Element Method (DEM) modelling is employed to generate gap-graded assemblies of
spherical particles with different fine contents and gap ratios using the PFC3D software package.
Samples are initially isotropically compressed before being subjected to triaxial compression or
extension stress paths. Semi-active fine particles are captured by considering the coordination
number and more importantly α of each fine particle after confinement stage. Finally, the variation
of coordination number and α values are analysed during shearing to evaluate the effect of axial
compression or extension on these particles’ role in the soil matrix.
The result of DEM simulations indicates that the stress paths along with the different gap ratios and
fine contents change the contribution of the fine particles in the soil stress-transmitting matrix.
There is clear impact on role of semi-fine particles when the principal stress planes are rotated.

299
 315: Simulation of the energy distribution of wet operated stirred media mills using a
coupled CFD-DEM approach
Christoph Thon, Greta Fragnière, Arno Kwade, Carsten Schilde
TU Braunschweig - Institute for Particle Technology , Braunschweig, Germany
Keywords
stirred media mill, optimization, Rocky DEM, Fluent, coupled CFD-DEM
Abstract

Stirred media mills are very common in a wide range of industries, such as the chemical,
pharmaceutical, ore, or paint industry and for fine grinding and dispersing of product
particles down to fine particle sizes of a few microns or less. In addition to the
fragmentation of particles, agglomerates and aggregates followed by a emulsification
processes, stabilization process, disruption of single-celled microorganisms, chemical
reactions or particle synthesis are potential applications for stirred media mills as well.
Due to the wide range of construction and processing parameters, experimental
optimization and Scale-Up of wet operated stirred media mills are labor intensive and
expensive. Therefore, coupled CFD-DEM simulations offer the potential to reduce the
spent amount of time, money and labor.

The main aim of this study is to set up simulations to predict and optimize grinding and
dispersing processes in wet operated stirred media mills. In particular, the influence of the
stirrer geometry and of process parameters on the grinding performance is investigated.
Therefore, coupled non-resolved CFD-DEM simulations on the macro scale were
conducted with the focus on the stressing energy distribution within stirred media mills.
The energy spectra are used as a measure for comminution, since a direct simulation of
the product particles would require an unrealizable computing effort. The grinding media
was considered as spheres. Two stirrer geometries, with and without holes, were
compared.

The main information obtained from the macro scale CFD-DEM simulation is the contact
frequency of grinding media, the contact energy distribution and the applied power to the
different levels of energy during grinding media collisions. The distribution of contact
frequency in dependency of the respective collision energies gives an indication at what
rate product particles are stressed.

300
 316: Micromechanical study of the elastic stiffness in isotropic frictional granular solids
Kianoosh Taghizadeh, Stefan Luding, Vanessa Magnanimo
University of Twente, Enschede, Netherlands
Keywords elastic moduli, fluctuation theory, inter-particle friction, isotropic assemblies
Abstract Granular materials are available in nature with large quantities and are mostly as
part of raw or final products in industries. A ubiquitous type of the granular assemblies is
soils, which are studied in various engineering disciplines such as Geology, Mining, and
Geotechnics. Numerous field studies and lab-scale experiments have been conducted to
characterize soils under various loading conditions. These studies lead to a better
understanding of complexities in macro-scale response of soils. However, it is now well
understood that grain scale properties are controlling the bulk-scale behavior of the
granular material. Therefore, it is essential to study and determine the micromechanical
mechanisms that govern various phenomena that are challenging in geotechnical
engineering. Discrete Element Modelling, treats material as group of discrete particles,
thus enhances the achievement of this goal.
DEM simulations are very slow when large-scale phenomena and industrial applications of
granular materials are taken into account. Even with the most advanced computational
techniques of today, it is not possible to simulate realistic numbers of particles with
complex geometries. Thus, continuum models are more desirable where a granular
medium is assumed as a continuum and principles of continuum mechanics are applied to
obtain macroscopic field variables. However, besides an advantage of continuum
approach, many features of granular materials at microscopic scale has to be neglected,
such as restructuring, geometric non-linearity due to discreteness, explicit control over
particle properties. The mechanical behaviour of the materials is presented as a
constitutive relation, then the constitutive model has to be defined based on the relation
between stress and strain extracted from continuum models.
In this study, assemblies of polydisperse, linearly elastic frictional spheres are isotropically
prepared using DEM. In a second stage, several static, relaxed configurations at various
volume fractions above jamming are generated and tested. We investigate the effects of
inter-particle contact properties on the elastic bulk and shear modulus by applying
isotropic and deviatoric perturbations. The amplitude of the applied perturbations has to
be small enough to avoid particle rearrangement and to get the elastic response, whereas
large amplitudes develop plasticity in the sample due to contact and structure
rearrangements between particles. We compare the data from DEM simulations with
predictions from well-established micromechanical models, namely the Effective Medium
Theory (EMT) and the Fluctuation Theory (FT). Both theories do not account for the effect
of different preparation history (different inter-particle friction coefficients) on the elastic
moduli. The fluctuation theory is in agreement with numerical data, almost perfect for the
bulk modulus and close for the shear modulus, at least in the intermediate compression
regime, but does not capture the anomalous behavior where the theory overpredicts.

301
 318: Soft-sphere models for normal collisions of spherical particles in viscous fluids
Dongjoo Kim
Kumoh National Institute of Technology, Gumi, Korea, Republic of
Keywords
soft-sphere model, normal collision, contact force, lubrication force
Abstract

Even with decades of study, it is still challenging to accurately predict the motions of
discrete phases (particles, bubbles, and liquid drops) in multiphase flows due to several
numerical issues. One of the challenging issues is accurate and efficient modelling for the
collision of particles in viscous fluids, in the framework of CFD-DEM methodology. To deal
with this problem, relevant models have to consider two important forces: particle
contact force and lubrication force. The former model accounts for dry collisions, i.e.,
collisions in vacuum or in a fluid of negligible resistance. However, the latter takes into
account the influence of fluid inertia and fluid viscosity on the collision process. Even
though many studies have been already done, better understanding of collision
phenomena and model improvement are still needed.

In this study, the characteristics of representative soft-sphere contact models and

lubrication force models are investigated to develop a better model with virtually no
parameters requiring adjustment and tuning. For this purpose, previous models and our
new model are validated against the experimental data of particle-to-wall collision in air
and wall-bouncing particle in liquids, respectively for contact model and lubrication
model. The performance of the models is evaluated and compared in terms of restitution
coefficient and collision duration. The contact models considered here for viscoelastic
collisions include linear spring model and Hertz-based nonlinear models. The considered
lubrication models are based on the Stokes number that includes the added mass effect.
Detailed results and discussion will be given in the final presentation.

This research was supported by the National Research Foundation of Korea (NRF) under
grant number 2017M2A8A4018482 and 2015R1D1A1A0105 9675.

302
 326: Introduction to open-source development minisymposium
Anthony R Thornton1,2, Hongyang Cheng1
1
Multiscale Mechanics, Engineering Technology, MESA+, University of Twente, Enschede,
Netherlands,
2
MercuryLab BV, Mekkelholtsweg 10, 7523 DE, Enschede, The Netherlands
Keywords open-source, DEM, DPM
Abstract There are many open-source codes for simulating particles, all with their own
unique features. This session will serve the dual purpose of bringing together the
different developers of open-source codes and also be a one-stop-shop for potential new
users.
The session is split into three parts (two normal sessions) and a drop-in session
(Wednesday afternoon in rooms 2G-2N) where developers of different codes can get
together and potential users can try any of the codes represented.
There is a maximum of two presentations per code. The first talk should give a general
overview of the code including main features, upcoming features, license, contribution
rules, etc. The second talk can be more technical and explain the details of certain key
features.
This presentation will open the session and give an overview of both open-source
development and the codes represented in the session. It will cover topics including how
to manage releases, what license to use etc; comparing and contrasting the ways the
codes represented do this.
The following codes are represented in the session:
• MercuryDPM and oomph-lib
• Yade
• Liggghts and CFDEM
• ESyS-Particle and GenGeo
• GranOO
• MESA-PD and waLBerla
• GrainLearning
• dp3D

303
 327: The granular Blasius problem: boundary layers in granular flow
Jonny Tsang, Stuart Dalziel, Nathalie Vriend
DAMTP, Cambridge, United Kingdom
Keywords
granular flow, rheology, granular rheology, DPM, boundary layers, free surface
Abstract
The rheology of dense granular flows is important to understand for many industrial and
geophysical applications, but it remains poorly understood. While depth-averaged models
(based on the shallow water approach of hydraulics) are commonly used to study granular
flows, such models provide no information about the internal velocity profile of a flow,
but instead assume that this profile is self-similar along the current. This assumption is
invalid when the basal roughness conditions vary along the flow, distorting the flow
profile near the base. We demonstrate, through DPM simulations, that a step increase in
basal roughness imposing a no-slip condition produces velocity profiles that are
qualitatively similar to the classical Blasius boundary layer problem studied by Prandtl. We
show that a variant on the commonly-used rheological model of Jop et al. (2006)
quantitatively predicts the correct velocity profile.

304
 328: Macroscopic single contact properties of cohesive silanised glass beads
S. IJ. van der Werf1, T. Weinhart1, R. J. M. Egberink2, M. Beerstra3, N. G. J. Helthuis4 and A. R.
Thornton1
Multiscale Mechanics, Engineering Technology, MESA+, University of Twente
1
2 Molecular
Nanofabrication, Science & Technology, MESA+, University of Twente
3 Material Science & Technology of polymers, Science & Technology, University of Twente 4

Production Technology, Engineering Technology, University of Twente

Keywords
compression test, contact model, particle contact, cohesion, surface modification, 11-
cyanoundecyltrichlorosilane
Abstract
The flowing behaviour of granular materials is determined by the contacts between individual solid
grains. This contact behaviour is highly dependent on the particle properties; in particular we are
interested in the effect of cohesion. This research experimentally investigates the contact of a single
pair of macroscopic cohesive glass beads. The surface of the glass beads were functionalised via
chemical silanization, attaching a silane group to the particle surface by a covalent bond. Ideally, a
monolayer around the bead should be observed that increases the dry adhesivity of the surface.
However, findings indicate the silanization procedure to be moisture sensitive, especial when a
trichlorosilane is used. Agglomerates of polymerized silanes are unequally divided over the surfaces,
as shown on AFM measurements and SEM images. To measure the adhesion, a CMS Nano-
Tribometer was used. With this device the contact force and displacement of the particle can be
measured, from which the adhesivity can be extracted. The force-displacement curves of
unmodified glass were compared with the Hertzian contact model and showed a good agreement.
For polymerised particles, a broad variance is noticed in the results, which we attribute to
agglomeration of polymerised silanes on the surface. Some of the force-displacement curves show
highly irregular behaviour. A possible explanation is that the contact occurred on a high polymerized
spot, resulting in a force-displacement graph which is comparable to the model “stiff particle with
soft contacts” of Tomas [1] for highly adhesive surfaces. In most cases, however, a contact
behaviour of the functionalised particles was observed in which the loading stiffness is slightly
smaller than the Hertzian behaviour of untreated glass. When unloading, the displacement
increases while the normal force decreases to a point where there is still a positive normal force,
thereafter, to return almost back to the previous loading curve, in such a way that the adhesion is
not depended on the applied load, see figure. The point where this phenomenon occurs is
dependent on the load and the location of
contact but does not seem to depend on
velocity. The gradual change observed during
cyclic loading and unloading is attributed to
wear of the silane layer. An explanation why
the displacement increases when the normal
forces decreases, is still a matter to be
researched.
[1] J. Tomas. Fundamentals of cohesive powder
consolidation and flow. Granular Matter,
6(2):75-86, 2004.

305
 329: Simulating particle agglomerates in MercuryDPM to study the dual-porosity in clay
Paolo Rapino1, Luca Orefice2
1
Mercury Lab BV, Mekkelholtsweg 10, 7523 DE, Enschede, The Netherlands
2
Research Center Pharmaceutical Engineering GmbH, Graz, Austria
Keywords
cluster generator, plasticity depth, dual-porosity, clay, oedometer test, hydraulic
conductivity
Abstract
Particle agglomerates are found in many industrial and scientific applications; for instance,
particle breakage, milling, granulation, tableting, or reproducing the microstructure and
study the dual-porosity of clay. The challenge addressed here is how to accurately model
such agglomerates in discrete particle simulations.
For this purpose, we have implemented a new feature in MercuryDPM, an open-source
software for discrete particle simulations. It is called the Cluster Generator: with a few line
commands it is possible for a user to create particle agglomerates, i.e. a particle-
composed entity, and insert them into a larger process simulation. The particles are
formed by compressing spherical elementary particles. Due to the compression, the
particle contacts deform plastically, causing increased cohesion between the elementary
particles, thus forming a cluster. Varying the elasto-plastic interaction parameters, the
properties of the cluster can be shaped: increasing the values of loading stiffness and
plasticity depth, for example, causes an increment in solid fraction and hardness of the
agglomerate.
Taking advantage of the different possibilities given by the code, an oedometric test for
clay is simulated, distinguishing in particular two cases: the first one considers distilled
water as interstitial fluid, the second one considers salt water as interstitial fluid. Salt
water makes clay grains shrink, increasing pore diameters and also hydraulic conductivity:
this particular behaviour is simulated by varying the elasto-plastic parameters, and in
particular increasing the plasticity depth in order to have a decrease in micro porosity,
whilst an increase in macro porosity. The ability of the code to reproduce these changes in
dual-porosity and the differences with experimental data will then be investigated.

306
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