The Hudson-Mohawk Chapter of TMS The Eastern New York Chapter of ASM

Eastern New York Chapter

2009 ASM/TMS SPRING SYMPOSIUM

MATERIALS CHALLENGES FOR ALTERNATIVE ENERGY

PROGRAM AND ABSTRACTS

May 11th & 12th, 2009 GE GLOBAL RESEARCH (GEGR) NISKAYUNA, NY

MATERIALS CHALLENGES FOR ALTERNATIVE ENERGY

May 11th & 12th, 2009 GE Global Research Niskayuna, NY OBJECTIVES
Co-sponsored by the Eastern New York Chapter of ASM and the Hudson-Mohawk Chapter of TMS, a Technical Symposium on a topic of materials science and engineering is held annually in the spring. The purposes of the technical symposium are to provide opportunities for technical information exchange between professionals, to provide continuing education for professionals, and to educate students in science and engineering fields in Eastern New York.

2009 Spring Symposium Organizing Committee

Laurent Cretegny (GEGR), Symposium Committee Chair Matt Alinger (GEGR) Steve Buresh (GEGR) Andy Detor (GEGR) Voramon Dheeradhada (GEGR) Lisa DAmore (KAPL) Mike Hanson (KAPL) Frank Johnson (GEGR) Cathy Jordan (KAPL) Wendy Lin (GEGR) Judson Marte(GEGR) Michelle Othon (GEGR) Raul Rebak (GEGR) Reza Sarrafi-Nour (GEGR) Melissa Teague (KAPL) Jennifer Zhao (GEGR)

2009 ASM/TMS Annual Symposium

Materials Challenges for Alternative Energy Steinmetz Hall, GE Global Research Center, Niskayuna, NY
Monday, May 11th, 2009 7:30- 8:30 8:30 Institute Check-in/registration and coffee 8:50 Opening Remarks: G Ramanath - Rensselaer Polytechnic

Engineering Materials for Emerging Energy Technologies: Challenges and Opportunities Session I Batteries and Fuel Cells Chairs: Matt Alinger Reza Sarrafi-Nour GE Global Research GE Global Research

8:50 - 9:30

Yet-Ming Chiang Massachusetts Institute of Technology Materials Challenges for Lithium Rechargeable Batteries Lessons from current technology for future advances Chuck Iacovangelo GE Global Research Materials Development for Sodium Metal Halide Batteries Break 11:10 Paul Mutolo Cornell University - Cornell Fuel Cell Institute Advancing PEM Fuel Cell Technology by Materials Design 11:50 Prabhakar Singh University of Connecticut - Connecticut Global Fuel Cell Center Near Zero Emissions Solid Oxide Fuel Cell (SOFC) Power Generation Systems for Operation on Hydrocarbon and Coal Derived Fuels: Status and Challenges 1:00 Lunch Solar Energy Materials Chairs: Michael Hanson Knolls Atomic Power Laboratory Jennifer Zhao GE Global Research Fred Seymour PrimeStar Taking Laboratory Thin Film Photovoltaic Innovation into Commercial Production David Albin National Renewable Energy Laboratory Current Knowledge and Future Directions for Polycrystalline Thin Film Solar Cell Reliability Research Break John R. Tuttle SkyPoint Solar Thin-Film Photovoltaics - From Atoms to Arrays Qi Wang National Renewable Energy Laboratory Surface Engineering and Light Enhancement for High Efficiency Heterojunction c-Si Solar Cells

9:30 - 10:10 10:10 - 10:30 10:30 -

11:10 -

11:50 Session II

1:00 - 1:40 1:40 - 2:20

2:20 - 2:30 2:30 - 3:10 3:10 - 3:50

3:50 - 4:30

Pradeep Haldar University at Albany - SUNY Applying Nanotechnology in Solar Cells

4:45 - 5:45 Tour of GE Global Research Monday evening, May 11th Glen Sanders Mansion Scotia, NY 6:00 - 7:00 7:00 - 8:00 8:00 - 9:00 Hors doeuvres and Cash Bar Reception Symposium Dinner Dinner Talk: Lawrence L. Kazmerski Executive Director, Science and Technology Partnerships National Renewable Energy Laboratory Solar Photovoltaics: A Tipping Point or a Revolution? (And can history help guide us to the energy future we know should exist?)

Directions to Glen Sanders Mansion Take the first right off the traffic circle immediately after exiting GE Global Research Continue straight at the first traffic light (Road changes from River Rd to Rosa Rd) Follow Rosa Rd to Nott St (Ellis Hospital will be on the left) take a right onto Nott St Follow Nott St to Erie Blvd, take a left onto Erie Blvd Travel into downtown Schenectady (~0.6 mile) and turn right at State Street (Rt 5) Take State Street (~ 1 mile) over the Mohawk River on the Western Gateway Bridge Turn left at the first traffic light just over the bridge onto Glenn Ave The Glen Sanders Mansion is the first building immediately on the left

2009 ASM/TMS Annual Symposium Materials Challenges for Alternative Energy Steinmetz Hall, GE Global Research Center, Niskayuna, NY
Tuesday, May 12th, 2009 7:30- 8:30 Session III Check-in and coffee Nuclear: Past Experiences and Future Challenges Chairs: Raul Rebak GE Global Research Melissa Teague Knolls Atomic Power Laboratory Larry Fennern GE-Hitachi Nuclear Energy GE Hitachi Nuclear Energy Reactor Designs to Meet Near Term and Future Energy Needs John Marra Savannah River National Laboratory The Critical Role of Materials in Advanced Nuclear Fuel Cycles Gary Was University of Michigan Materials Degradation Challenges in Current and Advanced Reactor Designs 10:40 Break

8:30 - 9:10 9:10 - 9:50 9:50 - 10:30 10:30 10:40 -

11:20 Tomas Diaz De La Rubia Lawrence Livermore National Laboratory Energy Security and Climate Change: A New Approach for Global Sustainability in the 21st Century 12:00 Harmon Tunison Knolls Atomic Power Laboratory Materials Evaluation in Supercritical CO2 1:15 Lunch

11:20 12:00 Session IV

Materials Challenges for Wind Blade Technology and Carbon Sequestration Chairs: Steve Buresh GE Global Research Wendy Lin GE Global Research 1:15 - 1:50 David Alman National Energy Technology Laboratory Materials Challenges in Carbon Sequestration 1:50 - 2:25 Anthony Ku GE Global Research Development of Ceramic Membranes for Precombustion CO2 Capture 2:25 - 3:00 Homero Castaneda Battelle Memorial Institute A Review of Pipeline Corrosion Considerations for CO2 Transportation with Impurities Under Supercritical Conditions Break Steve Nolet TPI Composites Commercial Wind Turbine Blade Developments at TPI Composites Cliff Eberle Oak Ridge National Laboratory Low Cost Carbon Fiber Composites for Energy Applications Mark Sherwin MAS Composites Perfecting the Process for Composite Manufacturing

3:00 - 3:15 3:15 - 3:50 3:50 - 4:25 4:25 - 5:00

The Hudson-Mohawk Chapter of TMS The Eastern New York Chapter of ASM

Eastern New York Chapter

2009 ASM/TMS SPRING SYMPOSIUM

MATERIALS CHALLENGES FOR ALTERNATIVE ENERGY

PROGRAM AND ABSTRACTS

May 11th & 12th, 2009

GE GLOBAL RESEARCH (GEGR) NISKAYUNA, NY

Batteries and Fuel Cells Session I

Chairs: Matt Alinger and Reza Sarrafi-Nour (GE Global Research) Authors and Titles Yet-Ming Chiang (Massachusetts Institute of Technology) Materials Challenges for Lithium Rechargeable Batteries Lessons from current technology for future advances Chuck Iacovangelo (GE Global Research) Materials Development for Sodium Metal Halide Batteries Paul Mutolo (Cornell University - Cornell Fuel Cell Institute) Advancing PEM Fuel Cell Technology by Materials Design Prabhakar Singh (University of Connecticut - Conn. Global Fuel Cell Center) Near Zero Emissions Solid Oxide Fuel Cell (SOFC) Power Generation Systems for Operation on Hydrocarbon and Coal Derived Fuels: Status and Challenges

Mechanical Properties of Nanostructured Ceramics

Julin Wan, Reza Sarrafi-nour and Mohan Manoharan Nanotechnology Program Ceramics and Metallurgy Technologies GE Global Research, Niskayuna NY Abstract The explosive growth of research in the area of nanotechnology is leading to the development of a whole new class of materials with combinations of properties generally not seen in more traditional materials. The mechanical properties of nanostructured ceramics provide an interesting case study of the opportunities and challenges in this area. Some of these nanostructured materials have been shown to exhibit remarkable strength, toughness and formability. While these results are encouraging, issues remain as to the repeatability of these properties as well as the length scales at which these properties were measured and their translation into macroscopic properties. If nanostructured materials are to be used as bulk structural materials or coatings, then the property enhancements at the nanoscale must be preserved at much higher length scales, where stability of these micro or nano structural features is critical. This talk will address many of these issues. As an example, we will discuss the fracture of interfaces in layered nanoceramics. Biographical Sketch PhD, 1988, Metallurgical Engineering, Ohio State University, Columbus, OH MS, 1987, Metallurgical Engineering, Ohio State University, Columbus, OH BS, 1985, Metallurgical Engineering, Indian Institute of Technology, Madras, India Dr. Manoharan works at GE Global Research in the Nanotechnology program leading a group developing a new generation of nanoceramics for a variety of structural and functional applications. Dr. Manoharan began his career at the NASA Center for Commercial Development of Space where he worked on issues related to the mechanical properties of metal matrix composites. He then moved to Unilever Research where his research focused on structure property relationships and processing techniques for soft solid composites. After working for four years at Unilever, he moved to academics as a faculty at the Nanyang Technological University in Singapore where he was an Associate Professor until 1999. Here he taught a number of courses in Materials Science and Fracture Mechanics and his research expanded to studying the structure property relationships of a variety of metals, ceramics, polymers and composites. While he was at Singapore he was also a faculty member of the Singapore-MIT alliance, which is widely regarded as a new model for global education and is a collaborative research and teaching alliance between MIT, Nanyang Tech University and the National University of Singapore. He has 50 publications in refereed journals, 10 patents and

over 50 conference presentations.

Processing Property Structure Fundamentals in Nanostructured Metallic Systems

PR Subramanian GE Global Research, Niskayuna NY Abstract Investigations on nanostructured metallic systems have shown that exceptional property enhancements are potentially achievable through structural refinement to the nano-scale. While dramatic property improvements have been reported on these materials in the past, significant technical challenges exist in processing, as well as in retention of microstructural stability and useful properties at elevated temperatures. This presentation will summarize the key challenges in developing nanostructured metallic systems, and highlight our progress and selected successes in the understanding of this unique class of materials. Work supported by the GE Global Research Nanotechnology AT program (Margaret Blohm: Project Leader)

Biographical Sketch Dr. Subramanian is a Materials Scientist at General Electric Global Research. After obtaining his MS and PhD in Materials Science & Engineering from Iowa State University, he did postgraduate work at Carnegie-Mellon University. Prior to joining GE, he worked for UES, Inc. for 12 years in the area of aerospace materials at the Air Force Research Laboratory, WrightPatterson Air Force Base, OH.. He has also served as an adjunct professor in Mechanical and Materials Engineering at Wright State University, where he has developed and taught courses on high-temperature materials, materials corrosion, diffusion, and multi-component phase diagrams. His current areas of research include processing-microstructure fundamentals in nanostructured metallic systems, structural applications of refractory metal systems, and friction stir welding of aerospace alloys. Dr. Subramanian is a Fellow of ASM International. He has over 70 publications in alloy development, microstructure-property relationships, phase transformations, and processing, has 6 U.S. patents, and is the co-editor of the Binary Alloy Phase Diagrams Handbook published by ASM International.

Investigation of a Nanostructured Al-FeCr-Ti Alloy for High Temperature Structural Applications

Leon L. Shaw Department of Metallurgy and Materials Engineering Institute of Materials Science University of Connecticut, Storrs, CT Abstract The feasibility of making nanostructured Al93Fe3Ti2Cr2 alloys via mechanical alloying (MA) starting from elemental powders has been investigated, and the potential of the MAprocessed Al93Fe3Ti2Cr2 alloy for high-temperature structural applications has been examined. It is found that the Al93Fe3Ti2Cr2 alloy at the as-milled condition is composed of nanostructured, supersaturated fcc-Al solid solutions with high internal strains. The nanostructure of the Al93Fe3Ti2Cr2 alloy is retained after extrusion as well as after exposure to elevated temperatures as high as 5000C (0.83Tm of pure Al). The unusually stable microstructure is due to low diffusivities of the alloying elements and the presence of nanoscale intermetallic precipitates. Because of the retention of nano-grains (fcc-Al < 100 nm after extrusion), the presence of nanoscale intermetallic precipitates, and low diffusivities of the alloying elements, promising mechanical properties (i.e., superior compressive strength and ductility) at both ambient and elevated temperatures have been demonstrated in the MA-processed Al93Fe3Ti2Cr2 alloy. Biographical Sketch Prof. Leon Shaw received his Master of Science and Ph.D. degrees in Materials Science and Engineering with a Minor in Mechanics and Engineering Science from the University of Florida. He worked as a Research Scientist at Systran Corporation and as a Visiting Scientist at Air Force Wright Laboratory for 2 years before joining the University of Connecticut in 1995. His teaching and research interests are in processing and mechanical properties of nanostructured materials and solid freeform fabrication. He is an author of over 120 publications (67 archival refereed journal articles and 55 conference proceedings), 2 book chapters, and 120 plus conference presentations including 28 invited talks. He holds a US patent for large quantity production of nanostructured materials. He is a guest editor for several journals including Metallurgical and Materials Transactions and

Materials Science and Engineering. He is cited in Who's Who in America. He has received several awards including the Outstanding Junior Faculty Award from the UConn School of Engineering (2000) for his exceptional contributions in research and teaching at UConn.

Novel Approaches to Fabrication of Nanoperiodic Surface Structures

Stephen L. Sass Department of Materials Science and Engineering Cornell University Abstract Nanofabrication at biologically important length scales, for example, the ~10 nm distance between binding sites on a human antibody, is expected to remain beyond the capability of commercial lithography for the foreseeable future. A new method for the fabrication of two dimensionally periodic arrays of surface features with controlled spacings of 2 to 100 nm will be presented. Our approach relies on the selective etching of a two-dimensionally periodic screw dislocation array that is present at the interface between two single crystal substrates twist-bonded at a misorientation angle, . The spacing, d, between the dislocations (and the features of the surface structure) is related to by Franks rule, d = |b|/2sin(/2), where b is the dislocation Burgers vector. The feasibility of this approach is demonstrated in silicon bicrystals by the fabrication of periodic nanobump structures with spacings down to 10 nm. Use of replication techniques allows the rapid reproduction of the nanobumps in any material that can be deposited, e.g., carbon, platinum, gold and gold-palladium. Additional fabrication strategies will be discussed. For example, arrays of nanowires can, in principle, be formed by taking advantage of the segregation of impurity atoms to dislocation cores. Such nanoperiodic structures have a variety of potential biological, electronic and magnetic storage applications. Biographical Sketch Stephen L. Sass, Professor of Materials Science and Engineering, joined the Cornell faculty in 1967. Received his B.Ch.E. from the City College of New York in 1961 and his Ph.D. in Materials Science from Northwestern University in 1966. Fulbright Scholar at the Technische Hogeschool, Delft, The Netherland, 1966-67. Fellow of the American Physical Society and ASM International. In 2001 named a Stephen H. Weiss Presidential Fellow, a university-wide honor recognizing effective, inspiring and distinguished teaching of undergraduate students. His research interests include the structure and properties of internal interfaces in solids and the development of methods for the fabrication of periodic surface structures with spacings on the nanometer-length scale. In 1998 published The Substance of Civilization: Materials and Human History from the Stone Age to the Age of Silicon, which was written to make science and technology accessible to non-scientists, by putting them into an

historical and human context. Enthusiastic about the educational value of engaging undergraduates in high technology research, Sass took the lead in developing research opportunities for freshmen starting in 1993. He was the mentor of Merrill Presidential Scholars, Helen Jean Yoo, in 1995, and Panitarn Wanakamol, in 2000, and Rhodes Scholar, Jessika Trancik, in 1997, and the recipient of a College of Engineering Teaching Award in 1996.

Solar Energy Materials Session II

Chairs: Mike Hanson (KAPL) and Jennifer Zhao (GEGR) Authors and Titles Fred Seymour (PrimeStar) Taking Laboratory Thin Film Photovoltaic Innovation into Commercial Production David Albin (National Renewable Energy Laboratory) Current Knowledge and Future Directions for Polycrystalline Thin Film Solar Cell Reliability Research John R. Tuttle (SkyPoint Solar) Thin-Film Photovoltaics - From Atoms to Arrays Qi Wang (National Renewable Energy Laboratory) Surface Engineering and Light Enhancement for High Efficiency Heterojunction c-Si Solar Cells Pradeep Haldar (University at Albany SUNY) Applying Nanotechnology in Solar Cells

"Molecule Corrals

Containers and Templates for Nanostructures

Professor Thomas P. Beebe, Jr. Department of Chemistry & Biochemistry University of Delaware, Newark, DE beebe@udel.edu Abstract This presentation will provide an overview of our work with molecule corrals, or nanometersized pits on the surface of highly oriented pyrolytic graphite (HOPG). Molecule corrals can be produced with a high degree of control of their (a) surface density (from less than 1 to more than 50 per square micron); (b) size (from 2 to several hundred nm in diameter); (c) depth (from one monolayer to more than 10 monolayers deep); and (d) lateral pattern on the submicron length scale (as seen below, 100 nm scale bar). These corrals can then be used as containers for small ensembles of self-assembled monolayers, as templates on which to grow nanostructures such as gold and silicon rings, disks and mesas, and as containers in which certain chemical reactions can be confined or controlled to some extent. Examples of these and additional uses of molecule corrals will be presented.

New tools and methods for nanoscale mechanics

100 nm

New Tools and Methods for Nanoscale Mechanics

Rodney S. Ruoff Director, NU BIMat Center Department of Mechanical Engineering Northwestern University, Evanston, IL r-ruoff@northwestern.edu

Abstract The challenge of well configuring nanoscale mechanics experiments is daunting, but not insurmountable. In the past few years we have developed approaches to nanoscale operations such as pick, place, clamp, and load inside of a scanning electron microscope (SEM). I outline our current nanoscale mechanics experiments, including experiments on novel carbon nanocoils, and pullout experiments on nanotubes projecting from fracture surfaces (fractured samples provided by Professor Linda Schadler of RPI in an ongoing collaboration), as well as mechanical resonance experiments on SiO2 nanowires. I will also briefly discuss a related topic, that of nanorobotics, as the operations we currently due to achieve fundamental scientific results, intersect some of the capabilities that a nanorobotics system could have. We gratefully acknowledge the grant support from the Office of Naval Research "Mechanics of Nanostructures" grant under award No. N000140210870, the NASA Langley Research Center for Computational Materials: Nanotechnology Modeling and Simulation Program, the NASA University Research, Engineering and Technology Institute on Bio Inspired Materials (BIMat) under award No. NCC-1-02037, and the NSF grant Mechanics of Nanoropes. The Ruoff group works on fabrication/synthesis of nanostructures and inorganic/organic nanocomposites, and measurement of physical (structural, mechanical, electromechanical, transport) and chemical (composition, bonding) properties of them, using home-built testing stages that operate inside electron microscopes or in conjunction with AFM or micro-Raman spectroscopy. Other topics currently being researched by the Ruoff group include nanorobotics, particle light valves, design and fabrication of nanoelectrodes for neuroscience, nanopipettes, and MEMS & NEMS devices and sensors

Dual beam FIB, 3D microscopy, and microtesting components on a near nanoscale

Mike Uchic WPAFB Abstract Dual Beam Focused Ion Beam-Scanning Electron Microscopes (DB FIB-SEMs) are a common fixture in the microelectronic industry, but only in the past couple of years have become available to materials science laboratories. The ability to perform both high-fidelity micromachining and high-resolution imaging within the microscope chamber has opened the the door to a whole new set of experimental methods to characterize materials at the microscale. This talk will focus on three novel methods for characterizing materials using the DB FIB-SEM that are being developed at AFRL: large-scale TEM foil machining and in-situ analysis, 3-D structure characterization via FIB-SEM serial sectioning, and ultrasmall scale mechanical testing. Biographical Sketch Michael Uchic received his B.S. with Highest Honors in Metallurgical Engineering from the University of Illinois in 1992, and received his Ph.D. in Materials Science and Engineering from Stanford University in 1999. For the past four years he has worked in the Metals Development Group of the Materials & Manufacturing Directorate at the Air Force Research Laboratory, Wright Patterson AFB, Dayton, OH. His current research topics include ultrasmallscale mechanical testing, 3-D materials characterization methods, and Focused Ion Beam (FIB) microscopy.

Nanomechanical Imaging of Carbon Nanotubes Deposited via CVD

Robert Geer SUNY Albany

Abstract Nanomechanical mapping of individual multi-walled carbon nanotubes (MWNTs) has been undertaken to investigate intra-tube variations of mechanical response. Ultrasonic force microscopy has been used to measure the relative axial and radial variations of contact stiffness of individual MWNTs synthesized using chemical vapor deposition (CVD) and arc-discharge (AD) techniques. For CVD-based MWNTs the contact stiffness of the tube was seen to vary strongly across volume defects (axial variation of the tube radius) and is assumed to result from the high crystalline defect density associated with such radial variations. These observations support recent experimental data of effective Young's modulus inferred from electrostaticallyinduced nanotube vibration amplitudes.

Biographical Sketch Robert Geer is an Associate Professor in the School of NanoSciences and NanoEngineering at the University at Albany. He heads an active research group in the areas of nanoelectronics, nanometrology, and integrated circuit manufacturing. Professor Geer has published over 50 articles in scientific journals and proceedings, several book chapters on nanomaterials and spoken at over 25 national and international scientific conferences.

Geometry and Interphase Effects in Nanotube Reinforced Polymer Composites

L. Cate Brinson Northwestern Abstract Recent experimental results presented in the literature demonstrate that in some instances substantial improvements in the mechanical behavior of reinforced polymers can be attained through the addition of very small amounts of carbon nanotubes as a reinforcing phase. While this suggests the possibilities of new, extremely lightweight carbon nanotube-reinforced polymers (CNRPs) with mechanical properties comparable to those of traditional carbon-fiber composites, hybrid nano-micro-reinforced composites, and multifunctional composites, a much greater understanding of the interaction between the nanotube inclusions and the polymer must first be developed before such novel materials can be fully utilized. In this presentation, we discuss the governing issues with respect to nanocomposite synthesis, testing and modeling. We then address two specific issues: geometric effects of nanotube arrangement on moduli and impact of low volume fraction of nanotubes on polymer relaxation modes. The first part addresses the effects of nanotube curvature on the elastic modulus of carbon nanotube-reinforced polymers. We develop a hybrid numerical-analytical model to describe the decrease in effective reinforcement as a function of nanotube curvature. We compare micromechanical predictions of the effective Youngs modulus of nanotube-reinforced polymers, based on TEM images of actual nanotube geometry, with experimentally obtained data. In the second part, we characterize the impact of the NTs on the effective viscoelastic response by studying the temperature- and frequency-dependent behavior of polycarbonatenanotube systems. Our macroscale experimental

Keynote Talk
Monday Evening, May 11th, 2009

Glen Sanders Mansion

(Directions below)

Cocktails 6:00 pm

Dinner 7:00 pm

Keynote Talk 8:00 pm

Lawrence L. Kazmerski
Executive Director, Science and Technology Partnerships National Renewable Energy Laboratory

Solar Photovoltaics: A Tipping Point or a Revolution (And can history help guide us to the energy future we know should exist?)

Directions to Glen Sanders Mansion Take the first right off the traffic circle immediately after exiting GE Global Research Continue straight at the first traffic light (Road changes from River Rd to Rosa Rd) Follow Rosa Rd to Nott St (Ellis Hospital will be on the left) take a right onto Nott St Follow Nott St to Erie Blvd, take a left onto Erie Blvd Travel into downtown Schenectady (~0.6 mile) and turn right at State Street (Rt 5) Take State Street (~ 1 mile) over the Mohawk River on the Western Gateway Bridge Turn left at the first traffic light just over the bridge onto Glenn Ave The Glen Sanders Mansion is the first building immediately on the left

Nuclear: Past Experiences and Future Challenges Session III

Chairs: Raul Rebak (GEGR) and Melissa Teague (KAPL) Authors and Titles Larry Fennern (GE-Hitachi Nuclear Energy) GE Hitachi Nuclear Energy Reactor Designs to Meet Near Term and Future Energy Needs John Marra (Savannah River National Laboratory) Critical Role of Materials in Advanced Nuclear Fuel Cycles Gary Was (University of Michigan) Materials Degradation Challenges in Current and Advanced Reactor Designs Tomas Diaz De La Rubia (Lawrence Livermore National Laboratory) Energy Security and Climate Change: A New Approach for Global Sustainability in the 21st Century Harmon Tunison (Knolls Atomic Power Laboratory, KAPL) Materials Evaluation in Supercritical CO2

Role of Interfaces in Thermal and Electrical Transport In Carbon Nanotube Based Composites
P. Keblinski

Materials Science and Engineering Department Rensselaer Polytechnic Institute Abstract In a traditional composite material characterized by a micron or larger sizes of constituents, the effective transport properties are typically determined by the corresponding macroscopic transport coefficients of each constituent, such as thermal or electrical conductivity, and composite topology. By contrast, in a nanocomposite material, interfacial properties, such as contact resistance, may be a primary factor determining effective transport properties. Using a combination of classical molecular dynamicssimulations, quantum mechanics based calculations, and analysis of available experimental results, we discuss and evaluate the role of interfaces in thermal and electrical transport of carbon nanotube based composites. In case of the thermal transport, we find that the limiting factor for the heat flow is the nanotube matrix interfacial resistance. Interestingly, reducing this interfacial resistance by increasing the bonding strength between the matrix and the tube leads to the decrease of the intrinsic tube conductivity. This suggests an existence of the optimal choice of system parameters maximizing effective transport properties. We also discuss the effects of contact resistance on electrical conductivity of carbon nanotube composites with an insulating matrix material. In particular, the effective conductivity is found to the proportional to approximately the square of the nanofiber volume fraction, when the contact resistance is the limiting factor for the electric current flow. Biographical Sketch Dr. Keblinski is an assistant professor in the Materials Science Department at Rensselaer Polytechnic Institute (RPI). He received his MS degree in Physics from the Warsaw University 1991 and Ph.D. degree in Physics from the Pennsylvania State University in 1995. From 1995 to 1999 was a postdoctoral researcher at Argonne National Laboratory and worked at Forschungszentrum Karlsruhe in Germany as a recipient of an Alexander von Humboldt Fellowship. He is also a recipient of the NSF Career Award. Professor Keblinski is a leader of the modeling group in the NSF Nasoscale Science and Engineering Center for Directed Assembly of Nanostructures at RPI. Professor Keblinski's research covers a range of topics including mesoscopic-level modeling of vapor deposition and phase separation to atomic-level computational studies of structure and properties of metals, covalent materials and ionic ceramics. Professor Keblinskis recent work is focused on the relationship between microstructure and various materials properties, such as thermomechanical response, mass and thermal transport, in particular, in interfacial materials including nano-structured and composite materials.

Theory, Modeling, and Simulations in Magnetic Heterostrucutres

Thomas C. Schulthess Computational Materials Sciences, Computer Science and Mathematics Division, ORNL Abstract The discovery of the Giant Magnetoresistance Effect in the late 1980s has lead to a remarkable technological revolution of the data storage industry during 1990s and to a staggering rate of increase of the recording density doubling the capacity of computer hard drives every year. In this talk we will give an overview over some of the physical effects currently used in hard disks and magnetic random access memory devices. We will review the increasingly important role theory, modeling, and simulation played during the last decade in enabling our understanding of these physical effects and in supporting device design. We will also look at some of the great challenges that need to be addressed if the current rate of increase in disk capacity is to be sustained in the future. In particular we will discuss the role of nanoscience and the inevitable need to perform predictive calculations of materials properties in magnetic nanostructures. Work supported by the Defense Advanced Research Project Agency and by DOE Office of Science under Contract No. DE-AC05-00OR22725 with UT-Battelle LLC.

Biographical Sketch Thomas Schulthess received his PhD. in Physics from ETH-Zurich, Switzerland, in 1994. After postdoctoral fellowship at Lawrence Livermore National Laboratory and Oak Ridge National Laboratory he became staff member in computer science and mathematics division in 1999 and leader of the computational materials sciences group in spring of 2002. His background is in electronic structure theory of metals and alloys. During his tenure, where he worked mostly on problems related to data storage technology, he developed a strong interest in combination of various simulation techniques to model materials properties across many length and time scales.

Quantitative Phase Field Modeling of Microstructural Evolution Liking to CALPHAD and DICTRA
Yunzhi Wang Department of Materials Science and Engineering The Ohio State University, Columbus, Ohio As computer modeling and simulation is becoming an important part of materials science and engineering, there is an ever-increasing demand for quantitative models that are able to handle problems of realistic complexity on length and time scales of practical interest. The phase field approach has become a method of choice for modeling complex microstructural patterns generated by various phase transformations, interdiffusion, grain growth and, most recently, plastic deformation. Even though earlier applications of the method are mostly qualitative, interests have been increasing recently in developing quantitative capabilities to treat real alloys by linking fundamental model inputs to CALPHAD and DICTRA databases. In this presentation, we will first give an overview of the phase field method and its unique capabilities to handle microstructures of diffusionally and elastically interacting precipitates of arbitrary shapes, volume fractions and spatial arrangements, and dislocation dynamics of arbitrary configurations. This will be followed by specific examples of most recent developments in quantitative modeling of microstructural evolution of real alloys on real length and time scales using critically assessed free energy and mobility databases. Some important issues will be addressed on how to construct phase field free energy functions using CALPHAD equilibrium free energy data and how to increase the length scale of quantitative phase field modeling when real material-specific parameters are used. Biographical Sketch Ph.D. in Materials Sci. & Eng., 1995, Rutgers, The State University of New Jersey M.S. in Materials Sci. & Eng., 1992, Rutgers, The State University of New Jersey Significant cost savings can be realized in alloy design and processing by using computer modeling, reducing the amount of experimental effort necessary. Dr. Wangs research projects focus on the development of computational models and simulation techniques, validated by experimentation, for microstructural engineering of advanced materials. Supported by the National Science Foundation (NSF), the Air Force Office of Scientific Research (AFOSR), the Air Force Research laboratory (AFRL), the National Institute of Standards and Technology (NIST), the NSF San Diego Supercomputing Center and the Ohio Supercomputing Center, his current research projects include (a) microstructure development during structural phase transformations and microstructure dislocation interactions during exposure to temperature and stress in high-temperature Ni-based superalloys and Ti alloys, (b) microstructure development in advanced multi-domain magnetic materials under applied fields, (c) interdiffusion microstructure and diffusion path in multi-component and multiphase coatings and multi-layers and (d) grain growth in anisotropic media and migration of interfaces and dislocations with segregating defects. Dr. Wangs work ties closely to the Universitys newly established research and education thrust on computational materials science and engineering.

Accelerating Insertion of Materials A Case Study for Turbine Buckets

Michael F. Henry General Electric Global Research Niskayuna, New York Abstract This presentation describes work General Electric to 1) develop and demonstrate a hybrid experimental-computational approach to reduce cycle-time for the development of new alloys and processes; 2) integrate existing materials models and experimental databases and 3) execute the macroscopic GE/DARPA AIM (Accelerated Insertion of Materials) philosophy using turbine bucket alloy development as the pilot application. Automation of materials development requires modeling of chemistry and microstructural effects on attributes that are critical to design and life prediction of complex engineering components. The controlled nature of the manufacturing process on investment cast parts makes this area an ideal candidate for demonstrating early successes in the application of automated alloy development. It represents a unique case where the microstructural and processing variations are minimal, and thus the number of independent variables are reduced enough to allow incorporation of alloy chemistry into modeling. Emphasis is being placed on new tools and new understanding that will minimize the iterations in materials design that currently take place after the initial alloy screening phase in an alloy development program. These are the iterations most like to substantially lengthen the insertion cycle for a new alloy. A system is being built to incorporate designer input at the earliest stage of alloy development, and to allow the user to vary that input to tailor it towards different applications. The predictive capability is a combination of rules-based and physics-based models that are envisioned to improve from mostly rules-based to mostly physics based as time goes by. The system would allow users to select their personal preferences where competing models exist. Biographical Sketch Michael F. Henry, Metallurgist, GE Global Research, has over 25 years experience as a materials engineer working on high temperature materials research and development. His work there has encompassed research on directionally solidified superalloys and superalloy eutectics, austenitic stainless steels, and high strength superalloys. Work in all three areas has included alloy development, processing research, extensive studies into mechanisms of fatigue crack initiation and growth, and environmentally assisted cracking. He has authored more than 30 published papers, and has been issued more than 30 U.S. patents. The patents include NDE, compositions of matter and processing. He holds a BS from Northeastern University in Mechanical Engineering, an MS from MIT in Mechanical Engineering and a PhD from RPI in Materials Science.

Materials Challenges for Wind Blade Technology and Carbon Sequestration Session IV
Chairs: Steve Buresh and Wendy Lin (GE Global Research) Authors and Titles David Alman (National Energy Technology Laboratory) Materials Challenges in Carbon Sequestration Anthony Ku (GE Global Research) Development of Ceramic Membranes for Precombustion CO2 Capture Homero Castaneda (Battelle Memorial Institute) A Review of Pipeline Corrosion Considerations for CO2 Transportation with Impurities Under Supercritical Conditions Steve Nolet (TPI Composites) Commercial Wind Turbine Blade Developments at TPI Composites Cliff Eberle (Oak Ridge National Laboratory) Low Cost Carbon Fiber Composites for Energy Applications Mark Sherwin (MAS Composites) Perfecting the Process for Composite Manufacturing

Metal Hydride Systems

Ted B. Flanagan Chemistry Department, University of Vermont Burlington , VT Abstract
In this talk some aspects of metal hydride systems will be described. It should

be appreciated that the metal may also refer to alloys or intermetallic compounds. Some thermodynamics of these systems will be discussed because almost all of the applications depend on the constant pressure or plateau pressure region of these systems. Plots of the log pplat against 1/T , vant Hoff plots, provide the plateau pressure at any desired temperature for a given system. The entropies of hydride formation are rather similar for different systems and therefore the plateau pressures are mainly determined by the enthalpy of hydride formation. The kinetics or rates of H2 absorption will be briefly discussed. The analysis of kinetic data is often difficult because the rates are frequently measured under conditions where neither T nor pH2 are kept constant. Phase diagrams for alloys both with and without H will be discussed. These give thermodynamic information about a given system and for the H-free alloys, they indicate any difficulties in preparation of intermetallic phases. Some applications of these systems which are currently in use and some which are planned will be described. Some problems of materials preparation, confinement, etc. will be noted. Biographical Sketch B.S., Chemistry (with honors), University of California (Berkeley), 1951 Ph.D., Physical Chemistry, University of Washington (Seattle), 1955 Post-doctorate, Queen's University of Belfast, N. Ireland, 1957-59 Flanagan has concentrated on metal hydrogen systems for most of his scientific career. He and his coworkers have investigated H2 absorption/desorption by intermetallic compounds such as LaNi5 and ZrNi using pressure composition isotherms and reaction calorimetry. The absorption of H2 by Pd and its alloys has also been an active topic of investigation especially the role of defects such as dislocations and internal interfaces. The effect of order in Pd3 Mn on hydrogen absorption has been studied using neutron diffraction, and inelastic neutron scattering.

Metal Hydrides for Hydrogen Storage

J.-C. Zhao GE Global Research Center Abstract A brief overview of the basics and the current state-of-the-art capabilities of metal hydrides for hydrogen storage will be presented along with our own approaches to develop new hydrides with high storage capacity. Current hydrides can store hydrogen only up to ~ 2 wt.% which is far from the 6.5 wt.% target set by DOE for automobile applications. The challenges in developing high-capacity hydrides will be discussed which include constraints on thermodynamics, kinetics and average atomic weight. Our approaches to overcome these challenges and to develop high capacity hydrides will be discussed. Key to our approaches are the high throughput screening (HTS) and computer modeling of the thermodynamics (heat of formation especially) of hydrides. Both the diffusion-multiple approach and the thin film deposition approach for HTS of hydrides will be discussed to illustrate their capabilities, advantages, and disadvantages as well. The state-of-the-art modeling capabilities will also be discussed. This talk will be a mixture of an overview of literature as well as a description of our approaches. Biographical Sketch J.-C. Zhao is a materials scientist at GE Global Research Center in Niskayuna, NY, where he has worked since 1995. His research focused on design of advanced alloys and coatings in the last 7 years. Starting this year, his effort is on hydrogen storage materials. His particular emphasis is on phase diagrams, thermodynamics, diffusion, and composition-structure-property relationships. He developed a diffusion-multiple approach for rapid mapping of phase diagrams and properties. Zhao received his BS (1985) and MS (1988) in materials from the Central South University (CSU), China, and his PhD in materials from Lehigh University (1995) after teaching at CSU from 1988 to 1991. He has received several honors including the Geisler Award from the Eastern NY Chapter of ASM and the Hull Award from GE Global Research. His work was featured on the front cover of Advanced Engineering Materials (March 2001) and MRS Bulletin (April 2002), in the News and Views section of Nature (April 5, 2001, vol. 410, p. 643-644, by R.W. Cahn), and in a cover story of Chemical and Engineering News (August 27, 2001, vol. 79, no. 35, p. 59-63). He was invited to give seminars at many universities as well as national and industrial laboratories. He has published ~ 45 papers and co-edited one book. He holds 20 issued and allowed US patents with ~ 12 more pending. He is also an Associate Editor for the Journal of Phase Equilibria.

PBI Membranes for Fuel Cells

Brian C. Benicewicz NYS Center for Polymer Synthesis and Department of Chemistry Rensselaer Polytechnic Institute, Troy, NY Abstract Polybenzimidazoles are a class of thermally stable polymers that were first prepared in the 1960s. In 1983, Celanese Corporation commercialized PBI fibers made from solutions of poly[2,2-(m-phenylene)-5,5-bibenzimidazole] for a large number of textile applications. PBI polymer exhibits excellent chemical and thermal stability, flame resistance and stability towards acids and bases. Additional applications have been developed for PBI polymer as a nonflammable paper, matrix resin, and microporous resin beads. More recently PBI film, doped with phosphoric acid, has been reported to be useful as a high temperature fuel cell membrane. Polymer electrolyte membrane fuel cells, based on phosphoric acid doped PBI, can operate at temperatures up to 200C. A number of potential benefits from high temperature operation are the increased tolerance of the catalyst to impurities (e.g., carbon monoxide), combined heat and power generation, and minimal water management. In this talk a new, robust process will be discussed for the preparation of PBI membranes which leads to membranes with excellent overall properties. We will outline the process that has been developed and report on the membrane conductivity, acid doping levels, mechanical properties of the acid-containing films and performance in fuel cells operating at elevated temperatures.

The Denominator of the Thermoelectric Figure of Merit:

Heat Transport by Lattice Vibrations

David G. Cahill Department of Materials Science and Frederick Seitz Materials Research Laboratory University of Illinois, Urbana, IL Abstract In thermoelectric materials, heat conduction by the vibrations of atoms greatly limits the efficiency of energy conversion. Traditionally, the lattice thermal conductivity is reduced by random alloying of isoelectronic elements. I will discuss our fundamental research on understanding the lower-limit of lattice thermal conductivity and describe the experimental methods we have developed to accurately measure thermal conduction in bulk and thin film samples. Because heat transport is inhibited at solid-solid interfaces, the thermal conductivity of semiconductor superlattices is strongly suppressed; in some cases the reduction in conductivity is greater than what can be achieved in alloys. We have recently improved the power and accuracy of pump-probe optical techniques: measurements of the thermal conductivity of electrically conducting, nanostructured thin film materials are now routine. Biographical Sketch David Cahill is Professor of Materials Science at the University of Illinois in Urbana. His thesis work in condensed matter physics at Cornell University included the development of the 3omega method for thermal conductivity measurements and studies of the minimum thermal conductivity of materials. In the mid-90s, Prof. Cahill developed methods for the measurement of heat transport in thin films that are now used by reasearchers throughout the world. Prof. Cahill's current research at U. Illinois includes instabilities in surface morphology during vapor crystal growth; ion-beam processing of thin films; the effects of surface energy and strain on nucleation kinetics; and heat transport in thin films and across interfaces. He has received the the Peter Mark Memorial Award of the AVS, and the University Scholar and Willet Faculty Scholar awards of the U. of Illinois. Prof. Cahill is currently chair of the the Nanoscale Science and Technology Division of the AVS; and chair of the 2003 Gordon Research Conference on Thin Film and Crystal Growth Mechanisms.