Computational Cosmology: From The Early Universe To The Large Scale Structure

Computational Cosmology: From the Early Universe to the
Large Scale Structure

Peter Anninos
University of California
Lawrence Livermore National Laboratory
7000 East Ave.
Livermore, CA 94550-9234
U.S.A.
email: anninos1@llnl.gov
Accepted on 15 February 2001
Published on 20 March 2001
http://www.livingreviews.org/lrr-2001-2
Living Reviews in Relativity
Published by the Max Planck Institute for Gravitational Physics
Albert Einstein Institute, Germany
Abstract
In order to account for the observable Universe, any comprehensive theory or model of
cosmology must draw from many disciplines of physics, including gauge theories of strong
and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromag-
netic elds, and spacetime curvature, for example. Although it is dicult to incorporate all
these physical elements into a single complete model of our Universe, advances in computing
methods and technologies have contributed signicantly towards our understanding of cosmo-
logical models, the Universe, and astrophysical processes within them. A sample of numerical
calculations (and numerical methods) applied to specic issues in cosmology are reviewed in
this article: from the Big Bang singularity dynamics to the fundamental interactions of grav-
itational waves; from the quark-hadron phase transition to the large scale structure of the
Universe. The emphasis, although not exclusively, is on those calculations designed to test
dierent models of cosmology against the observed Universe.
c Max Planck Society and the authors.
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14 April 2005: Fast-track revision to include recent developments. 37 new references have been
added. Besides changes listed in detail, grammatical changes have been scattered throughout the
article.
Page 8: Extended discussion to include a more complete chronology.
Page 8: Figure 1 added.
Page 9: Added a couple paragraphs to stress the dubious extension of the standard model to
the early universe, added references for the classication of anisotropic cosmologies.
Page 14: Added references on early numerical simulations.
Page 14: Added references on BLK oscillations.
Page 18: Extended subsection to add several more references, and to discuss a recent paper
on the stability of the phase fronts.
Page 18: Paragraphs added.
Page 18: Figures 5, 6, 7 added.
Page 23: Restructured section by inserting new subsubsection, moved subsubsection on Regge
calculus model to appendix.
Page 24: Subsubsection added, new references included.
Page 25: Completely rewrote and reorganized section, added new references and a more de-
tailed discussion on various anisotropy contributions.
Page 25: New subsubsection added.
Page 27: New subsubsection added.
Page 33: Added paragraph.
Page 34: Added paragraph which discusses relatively new references on model comparisons.
Page 39: Slightly modied summary section
Page 45: Slightly modied paragraph, reference added.
Page 46: Added paragraphs, expanded discussion to include mention of a new paper which
uses NOCD methods for modeling ideal gases, and which compares articial viscosity with
conserving numerical methods.
Page 47: New section added to include the stress tensor for nonideal uids with shear stress.
Page 49: Reorganized section by adding new subsubsection, added example of a typical chem-
ical network useful for primordial cosmology.
Page 51: Reorganized section by adding new subsubsection, added reference.
Contents
1 Introduction 7
2 Background 8
2.1 A brief chronology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
2.2 The standard model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
3 Relativistic Cosmology 13
3.1 Singularities . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.1.1 Mixmaster dynamics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.1.2 AVTD vs. BLK oscillatory behavior . . . . . . . . . . . . . . . . . . . . . . 14
3.2 Ination . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
3.2.1 Plane symmetry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
3.2.2 Spherical symmetry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
3.2.3 Bianchi V . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16
3.2.4 Gravitational waves + cosmological constant . . . . . . . . . . . . . . . . . 16
3.2.5 3D inhomogeneous spacetimes . . . . . . . . . . . . . . . . . . . . . . . . . 16
3.3 Chaotic scalar eld dynamics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16
3.4 Quark-hadron phase transition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
3.5 Nucleosynthesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22
3.6 Cosmological gravitational waves . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
3.6.1 Planar symmetry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23
3.6.2 Multi-dimensional vacuum cosmologies . . . . . . . . . . . . . . . . . . . . . 24
4 Physical Cosmology 25
4.1 Cosmic microwave background . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
4.1.1 Primordial black body eects . . . . . . . . . . . . . . . . . . . . . . . . . . 25
4.1.2 Primary anisotropies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
4.1.3 Secondary anisotropies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
4.1.4 Computing CMBR anisotropies with ray-tracing methods . . . . . . . . . . 29
4.2 Gravitational lensing . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
4.3 First star formation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
4.4 Ly forest . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33
4.5 Galaxy clusters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34
4.5.1 Internal structure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34
4.5.2 Number density evolution . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36
4.5.3 X-ray luminosity function . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36
4.5.4 SZ eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37
4.6 Cosmological sheets . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37
5 Summary 39
6 Appendix: Basic Equations and Numerical Methods 40
6.1 The Einstein equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40
6.1.1 ADM formalism . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40
6.1.2 Kinematic conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41
6.1.3 Symplectic formalism . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42
6.1.4 Regge calculus model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42
6.2 Sources of matter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
6.2.1 Cosmological constant . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
6.2.2 Scalar eld . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
6.2.3 Collisionless dust . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44
6.2.4 Ideal gas . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
6.2.5 Imperfect uid . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47
6.3 Constrained nonlinear initial data . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47
6.4 Newtonian limit . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
6.4.1 Dark and baryonic matter equations . . . . . . . . . . . . . . . . . . . . . . 48
6.4.2 Primordial chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
6.4.3 Numerical methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51
6.4.4 Linear initial data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51
References 53
Computational Cosmology: From the Early Universe to the Large Scale Structure 7
1 Introduction
Numerical investigations of cosmological spacetimes can be categorized into two broad classes
of calculations, distinguished by their computational goals: (i) geometrical and mathematical
principles of cosmological models, and (ii) physical and astrophysical cosmology. In the former,
the emphasis is on the geometric framework in which astrophysical processes occur, for example
cosmological expansion, topological singularities, geometrodynamics in general, and classication
characteristics or invariants of the many models allowed by the theory of general relativity. In the
latter, the emphasis is on the cosmological and astrophysical processes in the real or observable
Universe, and the quest to determine the model which best describes our Universe. The former is
pure in the sense that it concerns the fundamental nonlinear behavior of the Einstein equations and
the gravitational eld. The latter is more complex as it addresses the composition, organization,
and dynamics of the Universe from the small scales (fundamental particles and elements) to the
large (galaxies and clusters of galaxies). However the distinction is not always so clear, and
geometric eects in the spacetime curvature can have signicant consequences for the evolution
and observation of matter distributions.
Any comprehensive model of cosmology must therefore include nonlinear interactions between
dierent matter sources and spacetime curvature. A realistic model of the Universe must also
cover large dynamical spatial and temporal scales, extreme temperature and density distributions,
and highly dynamic atomic and molecular matter compositions. In addition, due to all the varied
physical processes of cosmological signicance, one must draw from many disciplines of physics to
model curvature anisotropies, gravitational waves, electromagnetic elds, nucleosynthesis, particle
physics, hydrodynamic uids, etc. These phenomena are described in terms of coupled nonlinear
partial dierential equations and must be solved numerically for general inhomogeneous spacetimes.
The situation appears extremely complex, even with current technological and computational ad-
vances. As a result, the codes and numerical methods that have been developed to date are designed
to investigate very specic problems with either idealized symmetries or simplifying assumptions
regarding the metric behavior, the matter distribution/composition or the interactions among the
matter types and spacetime curvature.
It is the purpose of this article to review published numerical cosmological calculations address-
ing problems from the very early Universe to the present; from the purely geometrical dynamics of
the initial singularity to the large scale structure of the Universe. There are three major sections:
Section 2 where a brief overview is presented of various dening events occurring throughout the
history of our Universe and in the context of the standard model, Section 3 where reviews of early
Universe and relativistic cosmological calculations are presented, and Section 4 which focuses on
structure formation in the post-recombination epoch and on testing cosmological models against
observations. Following the summary paragraphs in Section 5, an appendix in Section 6 presents
the basic Einstein equations, kinematic considerations, matter source equations with curvature,
and the equations of perturbative physical cosmology on background isotropic models. References
to numerical methods are also supplied and reviewed for each case.
8 Peter Anninos
2 Background
2.1 A brief chronology
With current observational constraints, the physical state of our Universe, as understood in the
context of the standard or FriedmanLematreRobertsonWalker (FLRW) model, can be crudely
extrapolated back to 10
43
seconds after the Big Bang, before which the classical description
of general relativity is expected to give way to a quantum theory of gravity. As the time-line in
Figure 1 shows, the Universe was a plasma of relativistic particles at the earliest times consisting
of quarks, leptons, gauge bosons, and Higgs bosons represented by scalar elds with interaction
and symmetry regulating potentials.
nucsyn
GUT
gauge
bosons
quarks
gluons
leptons
neutrons
protons
electrons
neutrinos
hydrogen
deuterium
helium
lithium
structure
formation
starts
stars
galaxies
clusters
-43 -34 -11 -5 1 11 13 17
31 26 15 13 10 5 4 0
28 23 11 8 6 1 0 -3
Planck
era
Lepton/Quark
era
Radiation
era
Matter
era
n,p
n,p
R~t^1/2
R~t^2/3
quantum
gravity
Log(t,sec)
Log(E,ev)
Log(T,K)
,
EW SSB QH SSB mat dom decoupling present
Log(R)
inflation
Figure 1: A historical time-line showing the major evolutionary stages of our Universe according
to the standard model, from the earliest moments of the Planck era to the present. The horizontal
axis represents logarithmic time in seconds (or equivalently energy in electron-Volts or temperature
in Kelvin), and the solid red line roughly models the radius of the Universe, showing the dierent
rates of expansion at dierent times: exponential during ination, shallow power law during the
radiation dominated era, and a somewhat steeper power law during the current matter dominated
phase.
It is believed that several spontaneous symmetry breaking (SSB) phase transitions occured in
the early Universe as it expanded and cooled, including the grand unication transition (GUT) at
10
34
s after the Big Bang in which the strong nuclear force split o from the weak and electro-
magnetic forces (this also marks an era of inationary expansion and the origin of matter-antimatter
asymmetry through baryon, charge conjugation, and charge + parity violating interactions and
nonequilibrium eects); the electroweak (EW) SSB transition at 10
11
s when the weak nuclear
force split from the electromagnetic force; and the chiral or quantum chromodynamic (QCD) sym-
metry breaking transition at 10
5
s during which quarks condensed into hadrons. The most
stable hadrons (baryons, or protons and neutrons comprised of three quarks) survived the subse-
quent period of baryon-antibaryon annihilations, which continued until the Universe cooled to the
point at which new baryon-antibaryon pairs could no longer be produced. This resulted in a large
number of photons and relatively few surviving baryons. Topological defects, dened as stable
congurations of matter in the symmetric (high temperature) phase, may persist after any of the
phase transitions described above to inuence the subsequent evolution of matter structures. The
nature of the defects is determined by the phase transition and the symmetry properties of the
matter, and some examples include domain walls, cosmic strings, monopoles, and textures.
A period of primordial nucleosynthesis followed from 10
2
to 10
2
s during which light ele-
ment abundances were synthesized to form 24% helium with trace amounts of deuterium, tritium,
helium-3, and lithium. Observations of these relative abundances represent the earliest conrma-
tion of the standard model. It is also during this stage that neutrinos (produced from proton-proton
and proton-photon interactions, and from the collapse or quantum evaporation/annihilation of
topological defects) stopped interacting with other matter, such as neutrons, protons, and pho-
tons. Neutrinos that existed at this time separated from these other forms of matter and traveled
freely through the Universe at very high velocities, near the speed of light.
By 10
11
s, the matter density became equal to the radiation density as the Universe con-
tinued to expand, identifying the start of the current matter-dominated era and the beginning
of structure formation. Later, at 10
13
s (3 10
5
yr), the free ions and electrons combined to
form atoms, eectively decoupling the matter from the radiation eld as the Universe cooled. This
decoupling or post-recombination epoch marks the surface of last scattering and the boundary of
the observable (via photons) Universe, and plays an important role in the history of the Cosmic
Microwave Background Radiation (CMBR). Assuming a hierarchical Cold Dark Matter (CDM)
structure formation scenario, the subsequent development of our Universe is characterized by the
growth of structures with increasing size. For example, the rst stars are likely to have formed
at t 10
8
y from molecular gas clouds when the Jeans mass of the background baryonic uid was
approximately 10
4
M
, as indicated in Figure 2. This epoch of pop III star generation is followed

by the formation of galaxies at t 10
9
yr and subsequently galaxy clusters. Though somewhat
controversial, estimates of the current age of our Universe range from 10 to 20 Gy, with a present-
day linear structure scale radius of about 8 h
1
Mpc, where h is the Hubble parameter (compared
to 2 3 Mpc typical for the virial radius of rich galaxy clusters).
2.2 The standard model
The isotropic and homogeneous FLRW cosmological model has been so successful in describing
the observable Universe that it is commonly referred to as the standard model. Furthermore,
and to its credit, the model is relatively simple so that it allows for calculations and predictions
to be made of the very early Universe, including primordial nucleosynthesis at 10
2
seconds after
the Big Bang, and even particle interactions approaching the Planck scale at 10
43
s. At present,
observational support for the standard model includes:
the expansion of the Universe as veried by the redshifts in galaxy spectra and quantied by
measurements of the Hubble constant H
0
= 100h km s
1
Mpc
1
, where 0.5 h 1 is the
Hubble constant;
the deceleration parameter observed in distant galaxy spectra (although uncertainties about
galactic evolution, intrinsic luminosities, and standard candles prevent an accurate estimate);
the large scale isotropy and homogeneity of the Universe based on temperature anisotropy
measurements of the microwave background radiation and peculiar velocity elds of galaxies
(although the light distribution from bright galaxies is somewhat contradictory);
10 Peter Anninos
Redshift
Log10(Time) years
Average Baryonic Jeans Mass
DM
gravitational
instability
negligible
photon/matter
interaction
H2 cooling
instability
a
d
i
a
b
a
t
i
c
T
=
1
e
V
i
s
o
t
h
e
r
m
a
l
(
1
+
z
)
^
(
3
/
2
)
(
1
+
z
)
^
(
3
/
2
)
C
L
U
S
T
E
R
S
G
A
L
A
X
I
E
S
L
Y
A

C
L
O
U
D
S
F
I
R
S
T

S
T
A
R
S
1000 200 100 20 10 5 1 0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
L
o
g
1
0
(
J
e
a
n
s

m
a
s
s
/
M
*
)
h
1
/
2
nH+ 10^(5)
=
nH
h
5 8 9 10 7
Figure 2: Schematic depicting the general sequence of events in the post-recombination Universe.
The solid and dotted lines potentially track the Jeans mass of the average baryonic gas component
from the recombination epoch at z 10
3
to the current time. A residual ionization fraction of
n
H+
/n
H
10
4
following recombination allows for Compton interactions with photons to z 200,
during which the Jeans mass remains constant at 10
5
M
. The Jeans mass then decreases as the

Universe expands adiabatically until the rst collapsed structures form sucient amounts of hydro-
gen molecules to trigger a cooling instability and produce pop III stars at z 20. Star formation
activity can then reheat the Universe and raise the mean Jeans mass to above 10
8
M
. This reheat-
ing could aect the subsequent development of structures such as galaxies and the observed Ly
clouds.
the age of the Universe which yields roughly consistent estimates between the look-back time
to the Big Bang in the FLRW model and observed data such as the oldest stars, radioactive
elements, and cooling of white dwarf stars;
the cosmic microwave background radiation suggests that the Universe began from a hot
Big Bang and the data is consistent with a mostly isotropic model and a black body at
temperature 2.7 K;
CMBR precision measurements suggest best t cosmological parameters in accord with the
critical density standard model;
the abundance of light elements such as
2
H,
3
He,
4
He, and
7
Li, as predicted from the FLRW
model, is consistent with observations, provides a bound on the baryon density and baryon-
to-photon ratio, and is the earliest conrmation of the standard model;
the present mass density, as determined from measurements of luminous matter and galactic
rotation curves, can be accounted for by the FLRW model with a single density parameter
(
0
) to specify the metric topology;
the distribution of galaxies and larger scale structures can be reproduced by numerical sim-
ulations in the context of inhomogeneous perturbations of the FLRW models;
the detection of dark energy from observations of supernovae is generally consistent with
accepted FLRW model parameters and cold dark matter + cosmological constant numerical
structure formation models.
Because of these remarkable agreements between observation and theory, most work in the eld
of physical cosmology (see Section 4) has utilized the standard model as the background spacetime
in which the large scale structure evolves, with the ambition to further constrain parameters and
structure formation scenarios through numerical simulations. The most widely accepted form of
the model is described by a set of dimensionless density parameters which sum to
b
+
d
+
=
0
, (1)
where the dierent components measure the present mean baryon density
b
, the dark matter
density
d
, the radiation energy
, and the dark energy
. The relative contributions of each

source and their sum
0
(which determines the topological curvature of the model) remains one of
the most important issues in modern computational and observational cosmology. The reader is
referred to [104] for a more in-depth review of the standard model, and to [128, 154] for a summary
of observed cosmological parameter constraints and best t concordance models. Peebles and
Ratra [133] provide a comprehensive literature survey and an excellent review of the standard
model, cosmological tests, and the evidence for dark energy and the cosmological constant.
However, some important unanswered questions about the standard model concern the nature
of the special conditions that produced an essentially geometrically at Universe that is also ho-
mogeneous and isotropic to a high degree over large scales. In an aort to address these questions,
it should be noted that many other cosmological models can be constructed with a late time be-
havior similar enough to the standard model that it is dicult to exclude them with absolute
certainty. Consider, for example, the collection of homogeneous but arbitrarily anisotropic vacuum
spacetimes known as the Bianchi models [141, 69]. There are nine unique models in this family
of cosmologies, ranging from simple Bianchi I models representing the Kasner class of spacetimes
(the at FLRW model, sometimes referred to as Type I-homogeneous, belongs to this group),
to the more complex and chaotic Bianchi IX or Mixmaster model (which also includes the closed
FLRW model, Type IX-homogeneous). Several of these models will be discussed in the rst section
12 Peter Anninos
on relativistic cosmology (Section 3) dealing pre-dominately with the early Universe, where the
models dier the most.
Anisotropic solutions, as well as more general (and in some cases exact) inhomogeneous cosmo-
logical models with initial singularities, can isotropize through anisotropic damping mechanisms
and adiabatic cooling by the expansion of the Universe to resemble the standard FLRW model
at late times. Furthermore, if matter is included in these spacetimes, the eective energy of
anisotropy, which generally dominates matter energy at early times, tends to become less impor-
tant over time as the Universe expands. The geometry in these matter-lled anisotropic spacetimes
thus evolves towards an isotropic state. Quantum mechanical eects have also been proposed as a
possible anisotropy damping mechanism that takes place in the early Universe to convert vacuum
geometric energy to radiation energy and create particles. All of this suggests that the early time
behavior and eects of local and global geometry are highly uncertain, despite the fact that the
standard FLRW model is generally accepted as accurate enough for the late time description of
our Universe.
Further detailed information on homogeneous (including Bianchi) universes, as well as more
general classes of inhomogeneous cosmological models can be found in [105, 158, 70].
3 Relativistic Cosmology
This section is organized to track the chronological events in the history of the early or relativistic
Universe, focusing mainly on four dening moments: (i) the Big Bang singularity and the dynamics
of the very early Universe, (ii) ination and its generic nature, (iii) QCD phase transitions, and (iv)
primordial nucleosynthesis and the freeze-out of the light elements. The late or post-recombination
epoch is reserved to a separate Section 4.
3.1 Singularities
3.1.1 Mixmaster dynamics
Belinsky, Lifshitz, and Khalatnikov (BLK) [32, 33] and Misner [119] discovered that the Einstein
equations in the vacuum homogeneous Bianchi type IX (or Mixmaster) cosmology exhibit complex
behavior and are sensitive to initial conditions as the Big Bang singularity is approached. In
particular, the solutions near the singularity are described qualitatively by a discrete map [30, 32]
representing dierent sequences of Kasner spacetimes
ds
2
= dt
2
+t
2p
1
dx
2
+t
2p
2
dy
2
+t
2p
3
dz
2
, (2)
with time changing exponents p
i
, but otherwise constrained by p
1
+ p
2
+ p
3
= p
2
1
+ p
2
2
+ p
2
3
= 1.
Because this discrete mapping of Kasner epochs is chaotic, the Mixmaster dynamics is presumed
to be chaotic as well.
Figure 3: Contour plot of the Bianchi type IX potential V , where
are the anisotropy canonical

coordinates. Seven level surfaces are shown at equally spaced decades ranging from 10
1
to 10
5
.
For large isocontours (V > 1), the potential is open and exhibits a strong triangular symmetry
with three narrow channels extending to spatial innity. For V < 1, the potential closes and is
approximately circular for
1.
Mixmaster behavior can be studied in the context of Hamiltonian dynamics, with a Hamilto-
nian [120]
2H = p
2
+p
2
+
+p
2
+e
4
(V 1), (3)
14 Peter Anninos
and a semi-bounded potential arising from the spatial scalar curvature (whose level curves are
plotted in Figure 3)
V = 1 +
1
3
e
8
+
+
2
3
e
4
+
_
cosh(4
) 1
_
4
3
e
2
+
cosh(2
), (4)
where e
and
are the scale factor and anisotropies, and p
and p
are the corresponding

conjugate variables. A solution of this Hamiltonian system is an innite sequence of Kasner
epochs with parameters that change when the phase space trajectories bounce o the potential
walls, which become exponentially steep as the system evolves towards the singularity.
Some of the earliest numerical simulations of this dynamical system were performed by Matzner,
Shepley, and Warren [116], and Moser, Matzner and Ryan [123] who followed phase space trajec-
tories and provided examples of solutions for various initial conditions and special cases. Several,
more recent, numerical calculations of the equations arising from Equations (3) and (4) have in-
dicated that the Liapunov exponents of the system vanish, in apparent contradiction with the
discrete maps [53, 89], and putting into question the characterization of Mixmaster dynamics as
chaotic. However, it has since been shown that the usual denition of the Liapunov exponents
is ambiguous in this case as it is not invariant under time reparametrizations, and that with a
dierent time variable one obtains positive exponents [35, 73]. Also, coordinate independent meth-
ods using fractal basin boundaries to map basins of attraction in the space of initial conditions
indicates Mixmaster spacetimes to be chaotic [64].
Although BLK conjectured that local Mixmaster oscillations might be the generic behavior for
singularities in more general classes of spacetimes [33], it is only recently that this conjecture has
begun to be supported by numerical evidence (see Section 3.1.2 and [37]).
3.1.2 AVTD vs. BLK oscillatory behavior
As noted in Section 3.1.1, an interesting and important issue in classical cosmology is whether
or not the generic Big Bang singularity is locally of a Mixmaster or BLK type, with complex
oscillatory behavior as the singularity is approached. Many of the Bianchi models, including
the Kasner solutions (2), are characterized by either open or no potentials in the Hamiltonian
framework [141], and exhibit essentially monotonic or Asymptotically Velocity Term Dominated
(AVTD) behavior.
Considering inhomogeneous spacetimes, Isenberg and Moncrief [98] proved that the singularity
in the polarized Gowdy model is AVTD type, as are more general polarized T
2
symmetric cosmolo-
gies [38]. Early numerical studies using symplectic methods conrmed AVTD behavior and found
no evidence of BLK oscillations, even in T
3
R spacetimes with U(1) symmetry [36] (although
there were concerns about the solutions due to diculties in resolving steep spatial gradients near
the singularity [36], which were addressed later by Hern and Stewart [87] for the Gowdy T
3
models).
However, Weaver et al. [160] established the rst evidence through numerical simulations that
Mixmaster dynamics can occur in a class of inhomogeneous spacetimes which generalize the Bianchi
type VI
0
model with a magnetic eld and two-torus symmetry. Berger and Moncrief [41, 42] also
demonstrated that U(1) symmetric vacuum cosmologies exhibit local Mixmaster dynamics con-
sistent with the BLK conjecture, despite numerical diculties in resolving steep gradients (which
they managed by enforcing the Hamiltonian constraint and spatially averaging the solutions). An-
other more recent example supporting the BLK conjecture is provided by Garnkle [79], who nds
local oscillating behavior approaching the singularity in closed vacuum (but otherwise generic)
spacetimes with no assumed symmetry in the initial data.
3.2 Ination
The ination paradigm is frequently invoked to explain the atness (
0
1 in the context of the
FLRW model) and nearly isotropic nature of the Universe at large scales, attributing them to an
era of exponential expansion at about 10
34
s after the Big Bang. This expansion acts as a strong
dampening mechanism to random curvature or density uctuations, and may be a generic attractor
in the space of initial conditions. An essential component needed to trigger this inationary phase
is a scalar or inaton eld representing spin zero particles. The vacuum energy of the eld acts
as an eective cosmological constant that regulates GUT symmetry breaking, particle creation,
and the reheating of the Universe through an interaction potential V () derived from the form of
symmetry breaking that occurs as the temperature of the Universe decreases.
Early analytic studies focused on simplied models, treating the interaction potential as at
near its local maximum where the eld does not evolve signicantly and where the formal analogy
to an eective cosmological constant approximation is more precise. However, to properly account
for the complexity of inaton elds, the full dynamical equations (see Section 6.2.2) must be
considered together with consistent curvature, matter and other scalar eld couplings. Also, many
dierent theories of ination and vacuum potentials have been proposed (see, for example, a recent
review by Lyth and Riotto [113] and an introductory article by Liddle [111]), and it is not likely
that simplied models can elucidate the full nonlinear complexity of scalar elds (see Section 3.3)
nor the generic nature of ination.
In order to study whether ination can occur for arbitrary anisotropic and inhomogeneous data,
many numerical simulations have been carried out with dierent symmetries, matter types and
perturbations. A sample of such calculations is described in the following paragraphs.
3.2.1 Plane symmetry
Kurki-Suonio et al. [106] extended the planar cosmological code of Centrella and Wilson [59, 60] (see
Section 3.6.1) to include a scalar eld and simulate the onset of ination in the early Universe with
an inhomogeneous Higgs eld and a perfect uid with a radiation equation of state p = /3, where
p is the pressure and is the energy density. Their results suggest that whether ination occurs
or not can be sensitive to the shape of the potential . In particular, if the shape is at enough
and satises the slow-roll conditions (essentially upper bounds on V/ and
2
V/
2
[104] near
the false vacuum 0), even large initial uctuations of the Higgs eld do not prevent ination.
They considered two dierent forms of the potential: a ColemanWeinberg type with interaction
strength and distance between true and false vacua
V () =
4
_
ln
_
2
_
1
2
_
+

4
2
, (5)
which is very at near the false vacuum and does inate; and a rounder
4
type
V () = (
2
2
)
2
, (6)
which, for their parameter combinations, does not.
3.2.2 Spherical symmetry
Goldwirth and Piran [83] studied the onset of ination with inhomogeneous initial conditions for
closed, spherically symmetric spacetimes containing a massive scalar eld and radiation eld sources
(described by a massless scalar eld). In all the cases they considered, the radiation eld damps
quickly and only an inhomogeneous massive scalar eld remains to inate the Universe. They nd
that small inhomogeneities tend to reduce the amount of ination and large initial inhomogeneities
16 Peter Anninos
can even suppress the onset of ination. Their calculations indicate that the scalar eld must have
suitable initial values (local conditions for which an equivalent homogeneous Universe will inate)
over a domain of several horizon lengths in order to trigger ination.
3.2.3 Bianchi V
Anninos et al. [14] investigated the simplest Bianchi model (type V) background that admits
velocities or tilt in order to address the question of how the Universe can choose a uniform reference
frame at the exit from ination, since the de Sitter metric does not have a preferred frame. They
nd that ination does not isotropize the Universe in the short wavelength limit. However, if
ination persists, the wave behavior eventually freezes in and all velocities go to zero at least as
rapidly as tanh R
1
, where is the relativistic tilt angle (a measure of velocity), and R is a
typical scale associated with the radius of the Universe. Their results indicate that the velocities
eventually go to zero as ination carries all spatial variations outside the horizon, and that the
answer to the posed question is that memory is retained and the Universe is never really de Sitter.
3.2.4 Gravitational waves + cosmological constant
In addition to the inaton eld, one can consider other sources of inhomogeneity, such as gravita-
tional waves. Although linear waves in de Sitter space will decay exponentially and disappear, it
is unclear what will happen if strong waves exist. Shinkai and Maeda [148] investigated the cosmic
no-hair conjecture with gravitational waves and a cosmological constant () in 1D plane symmetric
vacuum spacetimes, setting up Gaussian pulse wave data with amplitudes 0.02 max(
I) 80
and widths 0.08 l
H
l 2.5 l
H
, where I is the invariant constructed from the 3-Riemann tensor
and l
H
=
_
3/ is the horizon scale. They also considered colliding plane waves with amplitudes
40 max(
I) 125 and widths 0.08 l

H
l 0.1 l
H
. They nd that for any large amplitude
or small width inhomogeneity in their parameter sets, the nonlinearity of gravity has little eect
and the spacetime always evolves towards de Sitter.
3.2.5 3D inhomogeneous spacetimes
The previous paragraphs discussed results from highly symmetric spacetimes, but the possibility
of ination remains to be established for more general inhomogeneous and nonperturbative data.
In an eort to address this issue, Kurki-Suonio et al. [107] investigated fully three-dimensional
inhomogeneous spacetimes with a chaotic inationary potential V () =
4
/4. They considered
basically two types of runs: small and large scale. For the small scale runs, the grid dimensions were
initially set equal to the Hubble length so the inhomogeneities are well inside the horizon and the
dynamical time scale is shorter than the expansion or Hubble time. As a result, the perturbations
oscillate and damp, while the eld evolves and the spacetime inates. For the large scale runs,
the inhomogeneities are outside the horizon and they do not oscillate. They maintain their shape
without damping and, because larger values of lead to faster expansion, the inhomogeneity in the
expansion becomes steeper in time since the regions of large and high ination stay correlated.
Both runs produce enough ination to solve the atness problem.
3.3 Chaotic scalar eld dynamics
Many studies of cosmological models generally reduce complex physical systems to simplied or
even analytically integrable systems. In suciently simple models the dynamical behavior (or fate)
of the Universe can be predicted from a given set of initial conditions. However, the Universe is
composed of many dierent nonlinear interacting elds including the inaton eld which can exhibit
complex chaotic behavior. For example, Cornish and Levin [63] consider a homogenous isotropic
closed FLRW model with various conformal and minimally coupled scalar elds (see Section 6.2.2).
They nd that even these relatively simple models exhibit chaotic transients in their early pre-
inationary evolution. This behavior in exiting the Planck era is characterized by fractal basins of
attraction, with attractor states being to (i) inate forever, (ii) inate over a short period of time
then collapse, or (iii) collapse without inating. Monerat et al. [122] investigated the dynamics
of the pre-inationary phase of the Universe and its exit to ination in a closed FLRW model
with radiation and a minimally coupled scalar eld. They observe complex behavior associated
with saddle-type critical points in phase space that give rise to deSitter attractors with multiple
chaotic exits to ination that depend on the structure of the scalar eld potential. These results
suggest that distinctions between exits to ination may be manifested in the process of reheating
and as a selected spectrum of inhomogeneous perturbations inuenced by resonance mechanisms
in curvature oscillations. This could possibly lead to fractal patterns in the density spectrum,
gravitational waves, cosmic microwave background radiation (CMBR) eld, or galaxy distribution
that depend on specic details including the number of elds, the nature of the elds, and their
interaction potentials.
(c)
(b)
(a)
Figure 4: Fractal structure of the transition between reected and captured states for colliding kink-
antikink solitons in the parameter space of impact velocity for a (
2
1)
2
scalar eld potential. The
top image (a) shows the 2-bounce windows in dark with the rightmost region (v/c > 0.25) repre-
senting the single-bounce regime above which no captured state exists, and the leftmost white region
(v/c < 0.19) representing the captured state below which no reection windows exist. Between these
two marker velocities, there are 2-bounce reection states of decreasing widths separated by regions
of bion formation. Zooming in on the domain outlined by the dashed box, a self-similar structure
is apparent in the middle image (b), where now the dark regions represent 3-bounce windows of
decreasing widths. Zooming in once again on the boundaries of these 3-bounce windows, a similar
structure is found as shown in the bottom image (c) but with 4-bounce reection windows. This
pattern of self-similarity characterized by n-bounce windows is observed at all scales investigated
numerically.
Chaotic behavior can also be found in more general applications of scalar eld dynamics. An-
ninos et al. [20] investigated the nonlinear behavior of colliding kink-antikink solitons or domain
walls described by a single real scalar eld with self-interaction potential (
2
1)
2
. Domain walls
can form as topological defects during the spontaneous symmetry breaking period associated with
phase transitions, and can seed density uctuations in the large scale structure. For collisional
time scales much smaller than the cosmological expansion, they nd that whether a kink-antikink
collision results in a bound state or a two-soliton solution depends on a fractal structure observed
18 Peter Anninos
in the impact velocity parameter space. The fractal structure arises from a resonance condition as-
sociated with energy exchanges between translational modes and internal shape-mode oscillations.
The impact parameter space is a complex self-similar fractal composed of sequences of dierent
n-bounce (the number of bounces or oscillations in the transient semi-coherent state) reection
windows separated by regions of oscillating bion states (see Figure 4). They compute the Lya-
punov exponents for parameters in which a bound state forms to demonstrate the chaotic nature
of the bion oscillations.
3.4 Quark-hadron phase transition
The standard picture of cosmology assumes that a phase transition (associated with chiral sym-
metry breaking following the electroweak transition) occurred at approximately 10
5
s after the
Big Bang to convert a plasma of free quarks and gluons into hadrons. Although this transition
can be of signicant cosmological importance, it is not known with certainty whether it is of rst
order or higher, and what the astrophysical consequences might be on the subsequent state of the
Universe. For example, the transition may play a potentially observable role in the generation of
primordial magnetic elds. The QCD transition may also give rise to important baryon number
inhomogeneities which can aect the distribution of light element abundances from primordial Big
Bang nucleosynthesis. The distribution of baryons may be inuenced hydrodynamically by the
competing eects of phase mixing and phase separation, which arise from any inherent instability
of the interface surfaces separating regions of dierent phase. Unstable modes, if they exist, will
distort phase boundaries and induce mixing and diusive homogenization through hydrodynamic
turbulence [102, 112, 95, 4, 137].
In an eort to support and expand theoretical studies, a number of one-dimensional numerical
simulations have been carried out to explore the behavior of growing hadron bubbles and decaying
quark droplets in simplied and isolated geometries. For example, Rezolla et al. [138] considered
a rst order phase transition and the nucleation of hadronic bubbles in a supercooled quark-
gluon plasma, solving the relativistic Lagrangian equations for disconnected and evaporating quark
regions during the nal stages of the phase transition. They investigated numerically a single
isolated quark drop with an initial radius large enough so that surface eects can be neglected.
The droplet evolves as a self-similar solution until it evaporates to a suciently small radius that
surface eects break the similarity solution and increase the evaporation rate. Their simulations
indicate that, in neglecting long-range energy and momentum transfer (by electromagnetically
interacting particles) and assuming that baryon number is transported with the hydrodynamical
ux, the baryon number concentration is similar to what is predicted by chemical equilibrium
calculations.
Kurki-Suonio and Laine [108] studied the growth of bubbles and the decay of droplets using
a one-dimensional spherically symmetric code that accounts for a phenomenological model of the
microscopic entropy generated at the phase transition surface. Incorporating the small scale eects
of nite wall width and surface tension, but neglecting entropy and baryon ow through the droplet
wall, they simulate the process by which nucleating bubbles grow and evolve to a similarity solution.
They also compute the evaporation of quark droplets as they deviate from similarity solutions at
late times due to surface tension and wall eects.
Ignatius et al. [96] carried out parameter studies of bubble growth for both the QCD and
electroweak transitions in planar symmetry, demonstrating that hadron bubbles reach a stationary
similarity state after a short time when bubbles grow at constant velocity. They investigated the
stationary state using numerical and analytic methods, accounting also for preheating caused by
shock fronts.
Fragile and Anninos [76] performed two-dimensional simulations of rst order QCD transitions
to explore the nature of interface boundaries beyond linear stability analysis, and determine if they
Figure 5: Image sequence of the scalar eld from a 2D calculation showing the interaction of two
deagration systems (one planar wall propagating from the right side, and one spherical bubble
nucleating from the center). The physical size of the grid is set to 1000 1000 fm and resolved by
512512 zones. The run time of the simulation is about two sound crossing times, where the sound
speed is c/
3, so the shock fronts leading the condensing phase fronts travel across the grid twice.
The hot quark (cold hadron) phases have smaller (larger) scalar eld values and are represented by
black (color) in the colormap.
20 Peter Anninos
Figure 6: Image sequence of the scalar eld from a 2D calculation showing the interaction of two
detonation systems (one planar wall propagating from the right side, and one spherical bubble
nucleating from the center). The physical size of the grid is set to 1000 1000 fm and resolved by
1024 1024 zones. The run time of the simulation is about two sound crossing times.
Figure 7: Image sequence of the scalar eld from a 2D calculation showing the interaction of shock
and rarefaction waves with a deagration wall (initiated at the left side) and a detonation wall
(starting from the right). A shock and rarefaction wave travel to the right and left, respectively,
from the temperature discontinuity located initially at the grid center (the right half of the grid is
at a higher temperature). The physical size of the domain is set to 1806.1451.53 fm and resolved
by 2048 512 zones. The run time of the simulation is about two sound crossing times.
22 Peter Anninos
are stable when the full nonlinearities of the relativistic scalar eld and hydrodynamic system of
equations are accounted for. They used results from linear perturbation theory to dene initial
uctuations on either side of the phase fronts and evolved the data numerically in time for both
deagration and detonation congurations. No evidence of mixing instabilities or hydrodynamic
turbulence was found in any of the cases they considered, despite the fact that they investigated the
parameter space predicted to be potentially unstable according to linear analysis. They also inves-
tigated whether phase mixing can occur through a turbulence-type mechanism triggered by shock
proximity or disruption of phase fronts. They considered three basic cases (see image sequences in
Figures 5, 6, and 7 below): interactions between planar and spherical deagration bubbles, colli-
sions between planar and spherical detonation bubbles, and a third case simulating the interaction
between both deagration and detonation systems initially at two dierent thermal states. Their
results are consistent with the standard picture of cosmological phase transitions in which hadron
bubbles expand as spherical condensation fronts, undergoing regular (non-turbulent) coalescence,
and eventually leading to collapsing spherical quark droplets in a medium of hadrons. This is
generally true even in the detonation cases which are complicated by greater entropy heating from
shock interactions contributing to the irregular destruction of hadrons and the creation of quark
nuggets.
However, Fragile and Anninos also note a deagration instability or acceleration mechanism
evident in their third case for which they assume an initial thermal discontinuity in space separating
dierent regions of nucleating hadron bubbles. The passage of a rarefaction wave (generated at the
thermal discontinuity) through a slowly propagating deagration can signicantly accelerate the
condensation process, suggesting that the dominant modes of condensation in an early Universe
which super-cools at dierent rates within causally connected domains may be through super-
sonic detonations or fast moving (nearly sonic) deagrations. A similar speculation was made by
Kamionkowski and Freese [102] who suggested that deagrations become unstable to perturbations
and are converted to detonations by turbulent surface distortion eects. However, in the simu-
lations, deagrations are accelerated not from turbulent mixing and surface distortion, but from
enhanced super-cooling by rarefaction waves. In multi-dimensions, the acceleration mechanism can
be exaggerated further by upwind phase mergers due to transverse ow, surface distortion, and
mode dissipation eects, a combination that may result in supersonic front propagation speeds,
even if the nucleation process began as a slowly propagating deagration.
3.5 Nucleosynthesis
Observations of the light elements produced during Big Bang nucleosynthesis following the quark/
hadron phase transition (roughly 10
2
10
2
s after the Big Bang) are in good agreement with the
standard model of our Universe (see Section 2.2). However, it is interesting to investigate other
more general models to assert the role of shear and curvature on the nucleosynthesis process, and
place limits on deviations from the standard model.
Rothman and Matzner [140] considered primordial nucleosynthesis in anisotropic cosmologies,
solving the strong reaction equations leading to
4
He. They nd that the concentration of
4
He
increases with increasing shear due to time scale eects and the competition between dissipation
and enhanced reaction rates from photon heating and neutrino blue shifts. Their results have been
used to place a limit on anisotropy at the epoch of nucleosynthesis. Kurki-Suonio and Matzner [109]
extended this work to include 30 strong 2-particle reactions involving nuclei with mass numbers
A 7, and to demonstrate the eects of anisotropy on the cosmologically signicant isotopes
2
H,
3
He,
4
He and
7
Li as a function of the baryon to photon ratio. They conclude that the eect of
anisotropy on
2
H and
3
He is not signicant, and the abundances of
4
He and
7
Li increase with
anisotropy in accord with [140].
Furthermore, it is possible that neutron diusion, the process whereby neutrons diuse out from
regions of very high baryon density just before nucleosynthesis, can aect the neutron to proton
ratio in such a way as to enhance deuterium and reduce
4
He compared to a homogeneous model.
However, plane symmetric, general relativistic simulations with neutron diusion [110] show that
the neutrons diuse back into the high density regions once nucleosynthesis begins there thereby
wiping out the eect. As a result, although inhomogeneities inuence the element abundances,
they do so at a much smaller degree then previously speculated. The numerical simulations also
demonstrate that, because of the back diusion, a cosmological model with a critical baryon density
cannot be made consistent with helium and deuterium observations, even with substantial baryon
inhomogeneities and the anticipated neutron diusion eect.
3.6 Cosmological gravitational waves
Gravitational waves are an inevitable product of the Einstein equations, and one can expect a
wide spectrum of wave signals propagating throughout our Universe due to anisotropic and inho-
mogeneous metric and matter uctuations, collapsing matter structures, ringing black holes, and
colliding neutron stars, for example. The discussion here is restricted to the pure vacuum eld
dynamics and the fundamental nonlinear behavior of gravitational waves in numerically generated
cosmological spacetimes.
3.6.1 Planar symmetry
Centrella and Matzner [57, 58] studied a class of plane symmetric cosmologies representing gravi-
tational inhomogeneities in the form of shocks or discontinuities separating two vacuum expanding
Kasner cosmologies (2). By a suitable choice of parameters, the constraint equations can be satis-
ed at the initial time with a Euclidean 3-surface and an algebraic matching of parameters across
the dierent Kasner regions that gives rise to a discontinuous extrinsic curvature tensor. They
performed both numerical calculations and analytical estimates using a Greens function analysis
to establish and verify (despite the numerical diculties in evolving discontinuous data) certain
aspects of the solutions, including gravitational wave interactions, the formation of tails, and the
singularity behavior of colliding waves in expanding vacuum cosmologies.
Shortly thereafter, Centrella and Wilson [59, 60] developed a polarized plane symmetric code for
cosmology, adding also hydrodynamic sources with articial viscosity methods for shock capturing
and Bartons method for monotonic transport [162]. The evolutions are fully constrained (solving
both the momentum and Hamiltonian constraints at each time step) and use the mean curvature
slicing condition. This work was subsequently extended by Anninos et al. [9, 11, 7], implementing
more robust numerical methods, an improved parametric treatment of the initial value problem,
and generic unpolarized metrics.
In applications of these codes, Centrella [61] investigated nonlinear gravitational waves in
Minkowski space and compared the full numerical solutions against a rst order perturbation
solution to benchmark certain numerical issues such as numerical damping and dispersion. A
second order perturbation analysis was used to model the transition into the nonlinear regime.
Anninos et al. [10] considered small and large perturbations in the two degenerate Kasner models:
p
1
= p
3
= 0 or 2/3, and p
2
= 1 or 1/3, respectively, where p
i
are parameters in the Kasner met-
ric (2). Carrying out a second order perturbation expansion and computing the NewmanPenrose
(NP) scalars, Riemann invariants and BelRobinson vector, they demonstrated, for their particular
class of spacetimes, that the nonlinear behavior is in the Coulomb (or background) part represented
by the leading order term in the NP scalar
2
, and not in the gravitational wave component. For
standing-wave perturbations, the dominant second order eects in their variables are an enhanced
monotonic increase in the background expansion rate, and the generation of oscillatory behavior in
the background spacetime with frequencies equal to the harmonics of the rst order standing-wave
solution.
24 Peter Anninos
Expanding these investigations of the Coulomb nonlinearity, Anninos and McKinney [16] used
a gauge invariant perturbation formalism to construct constrained initial data for general relativis-
tic cosmological sheets formed from the gravitational collapse of an ideal gas in a critically closed
FLRW background model. They compared results to the Newtonian Zeldovich [165] solution
over a broad range of eld strengths and ows, and showed that the enhanced growth rates of
nonlinear modes (in both the gas density and Riemann curvature invariants) accelerate the col-
lapse process signicantly compared to Newtonian and perturbation theory. They also computed
the back-reaction of these structures to the mean cosmological expansion rate and found only a
small eect, even for cases with long wavelengths and large amplitudes. These structures were de-
termined to produce time-dependent gravitational potential signatures in the CMBR (essentially
fully relativistic ReesSciama eects) comparable to, but still dominated by, the large scale Sachs
Wolfe anisotropies. This conrmed, and is consistent with, the assumptions built into Newtonian
calculations of this eect.
3.6.2 Multi-dimensional vacuum cosmologies
Two additional examples of general relativistic codes developed for the purpose of investigating
dynamical behaviors in non-at, vacuum, cosmological topologies are attributed to Holcomb [91]
and Ove [129]. Holcomb considered vacuum axisymmetric models to study the structure of General
Relativity and the properties of gravitational waves in non-asymptotically at spacetimes. The
code was based on the ADM 3 +1 formalism and used Kasner matching conditions at the outer
edges of the mesh, mean curvature slicing, and a shift vector to enforce the isothermal gauge
in order to simplify the metric and to put it in a form that resembles quasi-isotropic coordinates.
However, a numerical instability was observed in cases where the mesh domain exceeded the horizon
size. This was attributed to the particular gauge chosen, which does not appear well-suited to the
Kasner metric as it results in super-luminal coordinate velocities beyond the horizon scale.
Ove developed an independent code based on the ADM formalism to study cosmic censorship
issues, including the nature of singular behavior allowed by the Einstein equations, the role of
symmetry in the creation of singularities, the stability of Cauchy horizons, and whether black
holes or a ring singularity can be formed by the collision of strong gravitational waves. Ove
adopted periodic boundary conditions with 3-torus topology and a single Killing eld, and therefore
generalizes to two dimensions the planar codes discussed in the previous section. This code also
used a variant of constant mean curvature slicing, was fully constrained at each time cycle, and
the shift vector was chosen to put the metric into a (time-dependent) conformally at form at each
spatial hypersurface.
4 Physical Cosmology
The phrase physical cosmology is generally associated with the large (galaxy and cluster) scale
structure of the post-recombination epoch where gravitational eects are modeled approximately by
Newtonian physics on an uniformly expanding, matter dominated FLRW background. A discussion
of the large scale structure is included in this review since any viable model of our Universe which
allows a regime where strongly general relativistic eects are important must match onto the
weakly relativistic (or Newtonian) regime. Also, since certain aspects of this regime are directly
observable, one can hope to constrain or rule out various cosmological models and/or parameters,
including the density (
0
), Hubble (H
0
= 100 h km s
1
Mpc
1
), and cosmological () constants.
Due to the vast body of literature on numerical simulations dealing with the post-recombination
epoch, only a very small fraction of published work can be reviewed in this paper. Hence, the
following summary is limited to cover just a few aspects of computational physical cosmology,
and in particular those that can potentially be used to discriminate between cosmological model
parameters, even within the realm of the standard model.
For a general overview of theoretical and observational issues associated with structure forma-
tion, the reader is referred to [132, 131], and to [45] for a broad review of numerical simulations
(and methods) of structure formation.
4.1 Cosmic microwave background
The Cosmic Microwave Background Radiation (CMBR) is a direct relic of the early Universe, and
currently provides the deepest probe of evolving cosmological structures. Although the CMBR
is primarily a uniform black body spectrum throughout all space, uctuations or anisotropies in
the spectrum can be observed at very small levels to correlate with the matter density distribu-
tion. Comparisons between observations and simulations generally support the mostly isotropic,
standard Big Bang model, and can be used to constrain the various proposed matter evolution
scenarios and cosmological parameters. For example, sky survey satellite observations [34, 149]
suggest a at -dominated Universe with scale-invariant Gaussian uctuations that is consistent
with numerical simulations of large sale structure formation (e.g., galaxy clusters, Ly forest).
As shown in the timeline of Figure 8, CMBR signatures can be generally classied into two
main components: primary and secondary anisotropies, separated by a Surface of Last Scattering
(SoLS). Both of these components include contributions from two distinctive phases: a surface
marking the threshold of decoupling of ions and electrons from hydrogen atoms in primary signals,
and a surface of reionization marking the start of multiphase secondary contributions through
nonlinear structure evolution, star formation, and radiative feedback from the small scales to the
large.
4.1.1 Primordial black body eects
The black body spectrum of the isotropic background is essentially due to thermal equilibrium
prior to the decoupling of ions and electrons, and few photon-matter interactions after that. At
suciently high temperatures, prior to the decoupling epoch, matter was completely ionized into
free protons, neutrons, and electrons. The CMB photons easily scatter o electrons, and frequent
scattering produces a blackbody spectrum of photons through three main processes that occur
faster than the Universe expands:
Compton scattering in which photons transfer their momentum and energy to electrons if
they have signicant energy in the electrons rest frame. This is approximated by Thomson
scattering if the photons energy is much less than the rest mass. Inverse Compton scattering
is also possible in which suciently energetic (relativistic) electrons can blueshift photons.
26 Peter Anninos
Figure 8: Historical time-line of the cosmic microwave background radiation showing the start of
photon/nuclei combination, the surface of last scattering (SoLS), and the epoch of reionization
due to early star formation. The times are represented in years (to the right) and redshift (to
the left). Primary anisotropies are collectively attributed to the early eects at the last scattering
surface and the large scale SachsWolfe eect. Secondary anisotropies arise from path integration
eects, reionization smearing, and higher order interactions with the evolving nonlinear structures
at relatively low redshifts.
Double Compton scattering can both produce and absorb photons, and thus is able to ther-
malize photons to a Planck spectrum (unlike Compton scattering which conserves photon
number, and, although it preserves a Planck spectrum, relaxes to a BoseEinstein distribu-
tion).
Bremsstrahlung emission of electromagnetic radiation due to the acceleration of electrons in
the vicinity of ions. This also occurs in reverse (free-free absorption) since charged particles
can absorb photons. In contrast to Coulomb scattering, which maintains thermal equilibrium
among baryons without aecting photons, Bremsstrahlung tends to relax photons to a Planck
distribution.
Although the CMBR is a unique and deep probe of both the thermal history of the early
Universe and primordial perturbations in the matter distribution, the associated anisotropies are
not exclusively primordial in nature. Important modications to the CMBR spectrum, from both
primary and secondary components, can arise from large scale coherent structures, even well after
the photons decouple from the matter at redshift z 10
3
, due to gravitational redshifting, lensing,
and scattering eects.
4.1.2 Primary anisotropies
The most important contributions to primary anisotropies between the start of decoupling and the
surface of last scattering include the following eects:
SachsWolfe (SW) eect: Gravitational redshift of photons between potentials at the SoLS
and the present. It is the dominant eect at large angular scales comparable to the horizon
size at decoupling ( 2
1/2
).
Doppler eect: Dipolar patterns are imprinted in the energy distribution from the peculiar
velocities of the matter structures acting as the last scatterers of the photons.
Acoustic peaks: Anisotropies at intermediate angular scales (0.1
< < 2
) are atttributed to
small scale processes occurring until decoupling, including acoustic oscillations of the baryon-
photon uid from primordial density inhomogeneities. This gives rise to acoustic peaks in
the thermal spectrum representing the sound horizon scale at decoupling.
SoLS damping: The electron capture rate is only slightly faster than photodissociation at
the start of decoupling, causing the SoLS to have a nite thickness (z 100). Scattering
over this interval damps uctuations on scales smaller than the SoLS depth ( < 10
1/2
).
Silk damping: Photons can diuse out of overdense regions, dragging baryons with them over
small angular scales. This tends to suppress both density and radiation uctuations.
All of these mechanisms perturb the black body background radiation since thermalization pro-
cesses are not ecient at redshifts smaller than 10
7
.
4.1.3 Secondary anisotropies
Secondary anisotropies consist of two principal eects, gravitational and scattering. Some of the
more important gravitational contributions to the CMB include:
Early ISW eect: Photon contributions to the energy density of the Universe may be non-
negligible compared to ordinary matter (dark or baryonic) at the last scattering. The de-
creasing contribution of photons in time results in a decay of the potential, producing the
early Integrated SachsWolfe (ISW) eect.
28 Peter Anninos
Late ISW eect: In open cosmological models or models with a cosmological constant, the
gravitational potential decays at late times due to a greater rate of expansion compared to
at spacetimes, producing the late ISW eect on large angular scales.
ReesSciama eect: Evolving nonlinear strucutures (e.g., galaxies and clusters) generate
time-varying potentials which can seed asymmetric energy shifts in photons crossing potential
wells from the SoLS to the present.
Lensing: In contrast to ISW eects which change the energy but not directions of the photons,
gravitational lensing deects the paths without changing the energy. This eectively smears
out the imaging of the SoLS.
Proper motion: Compact objects such as galaxy clusters can imprint a dipolar pattern in the
CMB as they move across the sky.
Gravitational waves: Perturbations in the spacetime fabric aect photon paths, energies, and
polarizations, predominantly at scales larger than the horizon at decoupling.
Secondary scattering eects are associated with reionization and their signicance depends on
when and over what scales it takes place. Early reionization leads to large optical depths and
greater damping due to secondary scattering. Over large scales, reionization has little eect since
these scales are not in causal contact. At small scales, primordial anisotropies can be wiped out
entirely and replaced by secondary ones. Some of the more important secondary scattering eects
include:
Thomson scattering: Photons are scattered by free electrons at suciently large optical
depths achieved when the Universe undergoes a global reionization at late times. This damps
out uctuations since energies are averaged over dierent directions in space.
Vishniac eect: In a reionized Universe, high order coupling between the bulk ow of electrons
and their density uctuations generates new anisotropies at small angles.
Thermal SunyaevZeldovich eect: Inverse Compton scattering of the CMB by hot electrons
in the intracluster gas of a cluster of galaxies distorts the black body spectrum of the CMB.
Low frequency photons will be shifted to high frequencies.
Kinetic SunyaevZeldovich eect: The peculiar velocities of clusters produces anisotropies
via a Doppler eect to shift the temperature without distorting the spectral form. Its eect
is proportional to the product of velocity and optical depth.
Polarization: Scattering of anisotropic radiation aects polarization due to the angular de-
pendence of scattering. Polarization in turn aects anisotropies through a similar dependency
and tends to damp anisotropies.
To make meaningful comparisons between numerical models and observed data, all of these
(low and high order) eects from both the primary and secondary contributions (see for example
Section 4.1.4 and [94, 101]) must be incorporated self-consistently into any numerical model, and to
high accuracy in order to resolve and distinguish amongst the various weak signals. The following
sections describe some work focused on incorporating many of these eects into a variety of large-
scale numerical cosmological models.
4.1.4 Computing CMBR anisotropies with ray-tracing methods
Many eorts based on linear perturbation theory have been carried out to estimate temperature
anisotropies in our Universe (for example see [114] and references cited in [131, 94]). Although
such linearized approaches yield reasonable results, they are not well-suited to discussing the
expected imaging of the developing nonlinear structures in the microwave background. Also,
because photons are intrinsically coupled to the baryon and dark matter thermal and gravitational
states at all spatial scales, a fully self-consistent treatment is needed to accurately resolve the more
subtle features of the CMBR. This can be achieved with a ray-tracing approach based on Monte-
Carlo methods to track individual photons and their interactions through the evolving matter
distributions. A fairly complete simulation involves solving the geodesic equations of motion for
the collisionless dark matter which dominate potential interactions, the hydrodynamic equations
for baryonic matter with high Mach number shock capturing capability, the transport equations for
photon trajectories, a reionization model to reheat the Universe at late times, the chemical kinetics
equations for the ion and electron concentrations of the dominant hydrogen and helium gases,
and the photon-matter interaction terms describing scattering, redshifting, depletion, lensing, and
Doppler eects.
Such an approach has been developed by Anninos et al. [15], and applied to a Hot Dark Matter
(HDM) model of structure formation. In order to match both the observed galaxy-galaxy corre-
lation function and COBE measurements of the CMBR, they nd, for that model and neglecting
reionization, the cosmological parameters are severely constrained to
0
h
2
1, where
0
and h
are the density and Hubble parameters respectively.
In models where the IGM does not reionize, the probability of scattering after the photon-
matter decoupling epoch is low, and the SachsWolfe eect dominates the anisotropies at angular
scales larger than a few degrees. However, if reionization occurs, the scattering probability increases
substantially and the matter structures, which develop large bulk motions relative to the comoving
background, induce Doppler shifts on the scattered CMBR photons and leave an imprint of the
surface of last scattering. The induced uctuations on subhorizon scales in reionization scenarios
can be a signicant fraction of the primordial anisotropies, as observed by Tuluie et al. [157] also
using ray-tracing methods. They considered two possible scenarios of reionization: A model that
suers early and gradual (EG) reionization of the IGM as caused by the photoionizing UV radiation
emitted by decaying neutrinos, and the late and sudden (LS) scenario as might be applicable to the
case of an early generation of star formation activity at high redshifts. Considering the HDM model
with
0
= 1 and h = 0.55, which produces CMBR anisotropies above current COBE limits when
no reionization is included (see Section 4.1.4), they nd that the EG scenario eectively reduces
the anisotropies to the levels observed by COBE and generates smaller Doppler shift anisotropies
than the LS model, as demonstrated in Figure 9. The LS scenario of reionization is not able to
reduce the anisotropy levels below the COBE limits, and can even give rise to greater Doppler
shifts than expected at decoupling.
Additional sources of CMBR anisotropy can arise from the interactions of photons with dy-
namically evolving matter structures and nonstatic gravitational potentials. Tuluie et al. [156]
considered the impact of nonlinear matter condensations on the CMBR in
0
1 Cold Dark
Matter (CDM) models, focusing on the relative importance of secondary temperature anisotropies
due to three dierent eects: (i) time-dependent variations in the gravitational potential of non-
linear structures as a result of collapse or expansion (the ReesSciama eect), (ii) proper motion
of nonlinear structures such as clusters and superclusters across the sky, and (iii) the decaying
gravitational potential eect from the evolution of perturbations in open models. They applied
the ray-tracing procedure of [15] to explore the relative importance of these secondary anisotropies
as a function of the density parameter
0
and the scale of matter distributions. They nd that
secondary temperature anisotropies are dominated by the decaying potential eect at large scales,
30 Peter Anninos
Figure 9: Temperature uctuations (T/T) in the CMBR due to the primary SachsWolfe (SW)
eect and secondary integrated SW, Doppler, and Thomson scattering eects in a critically closed
model. The top two plates are results with no reionization and baryon fractions 0.02 (plate 1, 4
o
4
o
,
T/T|
rms
= 2.810
5
), and 0.2 (plate 2, 8
, T/T|
rms
= 3.410
5
). The bottom two plates
are results from an early and gradual reionization scenario of decaying neutrinos with baryon
fraction 0.02 (plate 3, 4
, T/T|
rms
= 1.310
5
; and plate 4, 8
, T/T|
rms
= 1.410
5
).
If reionization occurs, the scattering probability increases and anisotropies are damped with each
scattering event. At the same time, matter structures develop large bulk motions relative to the
comoving background and induce Doppler shifts on the CMB. The imprint of this eect from last
scattering can be a signicant fraction of primary anisotropies.
but that all three sources of anisotropy can produce signatures of order T/T|
rms
10
6
as shown
in Figure 10.
In addition to the eects discussed in this section, many other sources of secondary anisotropies
(as mentioned in Section 4.1, including gravitational lensing, the Vishniac eect accounting for mat-
ter velocities and ows into local potential wells, and the SunyaevZeldovich (SZ) (Section 4.5.4)
distortions from the Compton scattering of CMB photons by electrons in the hot cluster medium)
can also be fairly signicant. See [94, 152, 28, 80, 93] for more thorough discussions of the dierent
sources of CMBR anisotropies.
4.2 Gravitational lensing
Observations of gravitational lenses [143] provide measures of the abundance and strength of non-
linear potential uctuations along the lines of sight to distant objects. Since these calculations are
sensitive to the gravitational potential, they may be more reliable than galaxy and velocity eld
measurements as they are not subject to the same ambiguities associated with biasing eects. Also,
because dierent cosmological models predict dierent mass distributions, especially at the higher
redshifts, lensing calculations can potentially be used to conrm or discard competing cosmological
models.
As an alternative to solving the computationally demanding lens equations, Cen et al. [55] de-
veloped an ecient scheme to identify regions with surface densities capable of generating multiple
images accurately for splittings larger than three arcseconds. They applied this technique to a
standard CDM model with
0
= 1, and found that this model predicts more large angle splittings
(> 8
) than are known to exist in the observed Universe. Their results suggest that the standard
CDM model should be excluded as a viable model of our Universe. A similar analysis for a at
low density CDM model with a cosmological constant (
0
= 0.3, /3H
2
0
= 0.7) suggests a lower
and perhaps acceptable number of lensing events. However, an uncertainty in their studies is the
nature of the lenses at and below the resolution of the numerical grid. They model the lensing
structures as simplied Singular Isothermal Spheres (SIS) with no distinctive cores.
Large angle splittings are generally attributed to larger structures such as clusters of galaxies,
and there are indications that clusters have small but nite core radii r
core
20 30 h
1
kpc.
Core radii of this size can have an important eect on the probability of multiple imaging. Flo-
res and Primack [74] considered the eects of assuming two dierent kinds of splitting sources:
isothermal spheres with small but nite core radii and radial density proles (r
2
+ r
2
core
)
1
,
and spheres with a Hernquist density prole r
1
(r + a)
3
, where r
core
20 30 h
1
kpc and
a 300 h
1
kpc. They nd that the computed frequency of large-angle splittings, when using the
nonsingular proles, can potentially decrease by more than an order of magnitude relative to the
SIS case and can bring the standard CDM model into better agreement with observations. They
stress that lensing events are sensitive to both the cosmological model (essentially the number
density of lenses) and to the inner lens structure, making it dicult to probe the models until the
structure of the lenses, both observationally and numerically, is better known.
4.3 First star formation
In CDM cosmogonies, the uctuation spectrum at small wavelengths has a logarithmic dependence
at mass scales smaller than 10
8
solar masses, which indicates that all small scale uctuations in
this model collapse nearly simultaneously in time. This leads to very complex dynamics during
the formation of these rst structures. Furthermore, the cooling in these uctuations is dominated
by the rotational/vibrational modes of hydrogen molecules that were able to form using the free
electrons left over from recombination and those produced by strong shock waves as catalysts.
The rst structures to collapse may be capable of producing pop III stars and have a substantial
32 Peter Anninos
Figure 10: Secondary anisotropies from the proper motion of galaxy clusters across the sky and
ReesSciama eects are presented in the upper-left image over 8
in a critically closed Cold

Dark Matter model. The corresponding column density of matter over the same region (z = 0.43,
z = 0.025) is displayed in the upper-right, clearly showing the dipolar nature of the proper mo-
tion eect. Anisotropies arising from decaying potentials in an open = 0.3 model over a scale
of 8
are shown in the bottom left image, along with the gravitational potential over the same
region (z = 0.33, z = 0.03) in the bottom right, demonstrating a clear anti-correlation. Maxi-
mum temperature uctuations in each simulation are T/T = (5 10
7
, 1.0 10
6
) respectvely.
Secondary anisotropies are dominated by decaying potentials at large scales, but all three sources
(decaying potential, proper motion, and R-S) produce signatures of order 10
6
.
inuence on the subsequent thermal evolution of the intergalactic medium, as suggested by Figure 2,
due to the radiation emitted by the rst generation stars as well as supernova driven winds. To
know the subsequent fate of the Universe and which structures will survive or be destroyed by the
UV background, it is rst necessary to know when and how the rst stars formed.
Ostriker and Gnedin [127] have carried out high resolution numerical simulations of the reheat-
ing and reionization of the Universe due to star formation bursts triggered by molecular hydrogen
cooling. Accounting for the chemistry of the primeval hydrogen/helium plasma, self-shielding of
the gas, radiative cooling, and a phenomenological model of star formation, they nd that two
distinct star populations form: the rst generation pop III from H
2
cooling prior to reheating at
redshift z 14; and the second generation pop II at z < 10 when the virial temperature of the
gas clumps reaches 10
4
K and hydrogen line cooling becomes ecient. Star formation slows in the
intermittent epoch due to the depletion of H
2
by photo-destruction and reheating. In addition, the
objects which formed pop III stars also initiate pop II sequences when their virial temperatures
reach 10
4
K through continued mass accretion.
In resolving the details of a single star forming region in a CDM Universe, Abel et al. [2, 3]
implemented a non-equilibrium radiative cooling and chemistry model [1, 21] together with the
hydrodynamics and dark matter equations, evolving nine separate atomic and molecular species
(H, H
+
, He, He
+
, He
++
, H
, H
+
2
, H
2
, and e
, according to the reactive network described in

Section 6.4.1) on nested and adaptively rened numerical grids. They follow the collapse and
fragmentation of primordial clouds over many decades in mass and spatial dynamical range, nding
a core of mass 200 M
forms from a halo of about 10

5
M
(where a signicant number fraction

of hydrogen molecules are created) after less than one percent of the halo gas cools by molecular
line emission. Bromm et al. [48] use a dierent Smoothed Particle Hydrodynamics (SPH) technique
and a six species model (H, H
+
, H
, H
+
2
, H
2
, and e
) to investigate the initial mass function of

the rst generation pop III stars. They evolve an isolated 3 peak of mass 2 10
6
M
which
collapses at redshift z 30 and forms clumps of mass 10
2
10
3
M
which then grow by accretion

and merging, suggesting that the very rst stars were massive and in agreement with [3].
The implications of an early era of massive star populations on the thermal and chemical state
of the intergalactic medium was investigated by Yoshida et al. [164]. They considered the eects of
feedback and radiation transfer in early structure formation simulations to show that a signicant
fraction of the IGM can be ionized and polluted by metals from the rst stars to form and become
supernovae by z 15, thus aecting subsequent stellar populations. They also argue that observed
elemental abundances in the intracluster medium are not aected by metals originating from the
rst stars.
4.4 Ly forest
The Ly forest represents the optically thin (at the Lyman edge) component of Quasar Absorption
Systems (QAS), a collection of absorption features in quasar spectra extending back to high red-
shifts. QAS are eective probes of the matter distribution and the physical state of the Universe
at early epochs when structures such as galaxies are still forming and evolving. The relative lack of
constraining observational data at the intermediate to high redshifts (0 < z < 5), where dierences
between competing cosmological models are more pronounced, suggests that QAS can potentially
yield valuable and discriminating observational data.
Many complex multi-component numerical simulations have been performed of the Lyman
forest, which include the eects of dark matter (N-body), baryons (hydrodynamics), chemical
composition (reactive networks), and microphysical response (radiative cooling and heating). See,
for example, [67, 118, 166], which represent some of the earliest comprehensive simulations. For the
most part, all these calculations have been able to t the observations reasonably well, including the
column density and Doppler width distributions, the size of absorbers [62], and the line number
34 Peter Anninos
evolution. Despite the fact that the cosmological models and parameters are dierent in each
case, the simulations give roughly similar results provided that the proper ionization bias is used,
b
ion
(
b
h
2
)
2
/, where
b
is the baryonic density parameter, h is the Hubble parameter and
is the photoionization rate at the hydrogen Lyman edge. (However, see [50] for a discussion of
the sensitivity of statistical properties on numerical resolution.) A theoretical paradigm has thus
emerged from these calculations in which Ly absorption lines originate from the relatively smaller
scale structure in pregalactic or intergalactic gas through the bottom-up hierarchical formation
picture in CDM-like Universes. The absorption features originate in structures exhibiting a variety
of morphologies commonly found in numerical simulations (see Figure 11), including uctuations
in underdense regions, spheroidal minihalos, and laments extending over scales of a few Mpc.
Machacek et al. [115] expanded on earlier work to compare several Ly statistical measures
from ve dierent background cosmological models, including standard critical density Cold Dark
Matter (CDM), open CDM, at CDM with a cosmological constant, standard CDM with a tilted
density spectrum, and a at model with mixed hot and cold dark matter. All models were chosen to
match local or low redshift observations, and most were also consistent with COBE measurements
of the CMBR. The calculations were designed to establish which statistics are sensitive to dierent
cosmological models. In particular, they nd that the line number count above a given column
density threshold is relatively insensitive to background models. On the other hand, the shape of
the optical depth probability distribution function is strongly correlated to the amount of small
scale power in density uctuations, and is thus a good discriminator among models on scales of a
few hundred kpc.
Meiksin et al. [117] followed up with more detailed comparisons of Ly systems in several
cosmologies with observed high resolution QSO spectra. Although all models are consistent with
previous studies in that they give reasonably good statistical agreement with observed Ly proper-
ties, under closer scrutiny none of the numerical models they considered passed all the tests, which
included spectral ux, wavelet decomposed amplitude, and absorption line prole distributions.
They suggest that comparisons might be improved, particularly in optically thin systems, by more
energy injection into the IGM from late He
+
reionization or supernovae-driven winds, or by a
larger baryon fraction.
4.5 Galaxy clusters
Clusters of galaxies are the largest gravitationally bound systems known to be in quasi-equilibrium.
This allows for reliable estimates to be made of their mass as well as their dynamical and ther-
mal attributes. The richest clusters, arising from 3 density uctuations, can be as massive as
10
14
10
15
M
, and the environment in these structures is composed of shock heated gas with
temperatures of order 10
7
mbox10
8
K which emits thermal bremsstrahlung and line radiation
at X-ray energies. Also, because of their spatial size of 1 h
1
Mpc and separations of order
50 h
1
Mpc, they provide a measure of nonlinearity on scales close to the perturbation normal-
ization scale 8 h
1
Mpc. Observations of the substructure, distribution, luminosity, and evolution
of galaxy clusters are therefore likely to provide signatures of the underlying cosmology of our
Universe, and can be used as cosmological probes in the observable redshift range 0 z 1.
4.5.1 Internal structure
Thomas et al. [155] investigated the internal structure of galaxy clusters formed in high resolution
N-body simulations of four dierent cosmological models, including standard, open, and at but
low density Universes. They nd that the structure of relaxed clusters is similar in the critical
and low density Universes, although the critical density models contain relatively more disordered
clusters due to the freeze-out of uctuations in open Universes at late times. The proles of relaxed
Figure 11: Distribution of the gas density at redshift z = 3 from a numerical hydrodynamics
simulation of the Ly forest with a CDM spectrum normalized to second year COBE observations,
Hubble parameter of h = 0.5, a comoving box size of 9.6 Mpc, and baryonic density of
b
= 0.06
composed of 76% hydrogen and 24% helium. The region shown is 2.4 Mpc (proper) on a side.
The isosurfaces represent baryons at ten times the mean density and are color coded to the gas
temperature (dark blue = 310
4
K, light blue = 310
5
K). The higher density contours trace out
isolated spherical structures typically found at the intersections of the laments. A single random
slice through the cube is also shown, with the baryonic overdensity represented by a rainbow-like
color map changing from black (minimum) to red (maximum). The He
+
mass fraction is shown
with a wire mesh in this same slice. To emphasize ne structure in the minivoids, the mass fraction
in the overdense regions has been rescaled by the gas overdensity wherever it exceeds unity.
36 Peter Anninos
clusters are very similar in the dierent simulations since most clusters are in a quasi-equilibrium
state inside the virial radius and generally follow the universal density prole of Navarro et al. [125].
There does not appear to be a strong cosmological dependence in the proles as suggested by
previous studies of clusters formed from pure power law initial density uctuations [65]. However,
because more young and dynamically evolving clusters are found in critical density Universes,
Thomas et al. suggest that it may be possible to discriminate among the density parameters by
looking for multiple cores in the substructure of the dynamic cluster population. They note that a
statistical population of 20 clusters could distinguish between open and critically closed Universes.
4.5.2 Number density evolution
The evolution of the number density of rich clusters of galaxies can be used to compute
0
and
8
(the power spectrum normalization on scales of 8 h
1
Mpc) when numerical simulation results are
combined with the constraint
8
0.5
0
0.5, derived from observed present-day abundances of rich
clusters. Bahcall et al. [24] computed the evolution of the cluster mass function in ve dierent
cosmological model simulations and nd that the number of high mass (Coma-like) clusters in at,
low
8
models (i.e., the standard CDM model with
8
0.5) decreases dramatically by a factor of
approximately 10
3
from z = 0 to z 0.5. For low
0
, high
8
models, the data result in a much
slower decrease in the number density of clusters over the same redshift interval. Comparing these
results to observations of rich clusters in the real Universe, which indicate only a slight evolution
of cluster abundances to redshifts z 0.51, they conclude that critically closed standard CDM
and Mixed Dark Matter (MDM) models are not consistent with the observed data. The models
which best t the data are the open models with low bias (
0
= 0.3 0.1 and
8
= 0.85 0.5),
and at low density models with a cosmological constant (
0
= 0.34 0.13 and
0
+ = 1).
4.5.3 X-ray luminosity function
The evolution of the X-ray luminosity function, as well as the number, size and temperature
distribution of galaxy clusters are all potentially important discriminants of cosmological models
and the underlying initial density power spectrum that gives rise to these structures. Because the X-
ray luminosity (principally due to thermal bremsstrahlung emission from electron/ion interactions
in the hot fully ionized cluster medium) is proportional to the square of the gas density, the contrast
between cluster and background intensities is large enough to provide a window of observations that
is especially sensitive to cluster structure. Comparisons of simulated and observed X-ray functions
may be used to deduce the amplitude and shape of the uctuation spectrum, the mean density
of the Universe, the mass fraction of baryons, the structure formation model, and the background
cosmological model.
Several groups [49, 56] have examined the properties of X-ray clusters in high resolution nu-
merical simulations of a standard CDM model normalized to COBE. Although the results are very
sensitive to grid resolution (see [17] for a discussion of the eects from resolution constraints on the
properties of rich clusters), their primary conclusion, that the standard CDM model predicts too
many bright X-ray emitting clusters and too much integrated X-ray intensity, is robust since an
increase in resolution will only exaggerate these problems. On the other hand, similar calculations
with dierent cosmological models [56, 52] suggest reasonable agreement of observed data with
Cold Dark Matter + cosmological constant (CDM), Cold + Hot Dark Matter (CHDM), and
Open or low density CDM (OCDM) evolutions due to dierent universal expansions and density
power spectra.
4.5.4 SZ eect
The SunyaevZeldovich (SZ) eect is the change in energy that CMB photons undergo when they
scatter in hot gas typically found in cores of galaxy clusters. There are two main eects: thermal
and kinetic. Thermal SZ is the dominant mechanism which arises from thermal motion of gas in
the temperature range 10
7
10
8
K, and is described by the Compton y parameter
y =
T
_
n
e
k
B
T
e
m
e
c
2
dl, (7)
where
T
= 6.6510
25
cm
2
is the Thomson cross-section, m
e
, n
e
and T
e
are the electron rest mass,
density and temperature, c is the speed of light, k
B
is Boltzmanns constant, and the integration is
performed over the photon path. Photon temperature anisotropies are related to the y parameter
by T/T 2y in the RayleighJeans limit. The kinetic SZ eect is a less inuential Doppler
shift resulting from the bulk motion of ionized gas relative to the rest frame of the CMB.
Springel et al. [150] used a Tree/SPH code to study the SZ eects in a CDM cosmology with
a cosmological constant. They nd a mean amplitude for thermal SZ (y = 3.8 10
6
) just below
current observed upper limits, and a kinetic SZ about 30 times smaller in power. Da Silva et al. [66]
compared thermal SZ maps in three dierent cosmologies (low density + , critical density, and
low density open model). Their results are also below current limits: y 4 10
6
for low density
models with contributions from over a broad redshift range z 5, and y 110
6
for the critical
density model with contributions mostly from z < 1. However, further simulations are needed to
explore the dependence of the SZ eect on microphysics, i.e., cooling, star formation, supernovae
feedback.
4.6 Cosmological sheets
Cosmological sheets, or pancakes, form as overdense regions collapse preferentially along one axis.
Originally studied by Zeldovich [165] in the context of neutrino-dominated cosmologies, sheets are
ubiquitous features in nonlinear structure formation simulations of CDM-like models with baryonic
uid, and manifest on a spectrum of length scales and formation epochs. Gas collapses gravita-
tionally into attened sheet structures, forming two plane parallel shock fronts that propagate in
opposite directions, heating the infalling gas. The heated gas between the shocks then cools radia-
tively and condenses into galactic structures. Sheets are characterized by essentially ve distinct
components: the preshock inow, the postshock heated gas, the strongly cooling/recombination
front separating the hot gas from the cold, the cooled postshocked gas, and the unshocked adiabati-
cally compressed gas at the center. Several numerical calculations [47, 145, 22] have been performed
of these systems which include baryonic uid with hydrodynamical shock heating, ionization, re-
combination, dark matter, thermal conductivity, and radiative cooling (Compton, bremsstrahlung,
and atomic line cooling), in both one and two spatial dimensions to assert the signicance of each
physical process and to compute the fragmentation scale. See also [16] where fully general rela-
tivistic numerical calculations of cosmological sheets are presented in plane symmetry, including
relativistic hydrodynamical shock heating and consistent coupling to spacetime curvature.
In addition, it is well known that gas which cools to 1 eV through hydrogen line cooling will
likely cool faster than it can recombine. This nonequilibrium cooling increases the number of
electrons and ions (compared to the equilibrium case) which, in turn, increases the concentrations
of H
and H
+
2
, the intermediaries that produce hydrogen molecules H
2
. If large concentrations
of molecules form, excitations of the vibrational/rotational modes of the molecules can eciently
cool the gas to well below 1 eV, the minimum temperature expected from atomic hydrogen line
cooling. Because the gas cools isobarically, the reduction in temperature results in an even greater
reduction in the Jeans mass, and the bound objects which form from the fragmentation of H
2
38 Peter Anninos
cooled cosmological sheets may be associated with massive stars or star clusters. Anninos and
Norman [18] have carried out 1D and 2D high resolution numerical calculations to investigate
the role of hydrogen molecules in the cooling instability and fragmentation of cosmological sheets,
considering the collapse of perturbation wavelengths from 1 Mpc to 10 Mpc. They nd that
for the more energetic (long wavelength) cases, the mass fraction of hydrogen molecules reaches
n
H2
/n
H
3 10
3
, which cools the gas to 4 10
3
eV and results in a fragmentation scale of
9 10
3
M
. This represents reductions of 50 and 10

3
in temperature and Jeans mass respectively
when compared, as in Figure 12, to the equivalent case in which hydrogen molecules were neglected.
However, the above calculations neglected important interactions arising from self-consistent
treatments of radiation elds with ionizing and photo-dissociating photons and self-shielding eects.
Susa and Umemura [153] studied the thermal history and hydrodynamical collapse of pancakes in
a UV background radiation eld. They solve the radiative transfer of photons together with
the hydrodynamics and chemistry of atomic and molecular hydrogen species. Although their
simulations were restricted to one-dimensional plane parallel symmetry, they suggest a classication
scheme distinguishing dierent dynamical behavior and galaxy formation scenarios based on the
UV background radiation level and a critical mass corresponding to 1 2 density uctuations
in a standard CDM cosmology. These level parameters distinguish galaxy formation scenarios as
they determine the local thermodynamics, the rate of H
2
line emissions and cooling, the amount
of starburst activity, and the rate and mechanism of cloud collapse.
Figure 12: Two dierent model simulations of cosmological sheets are presented: a six species model
including only atomic line cooling (left), and a nine species model including also hydrogen molecules
(right). The evolution sequences in the images show the baryonic overdensity and gas temperature
at three redshifts following the initial collapse at z = 5. In each gure, the vertical axis is 32 kpc
long (parallel to the plane of collapse) and the horizontal axis extends to 4 Mpc on a logarithmic
scale to emphasize the central structures. Dierences in the two cases are observed in the cold
pancake layer and the cooling ows between the shock front and the cold central layer. When the
central layer fragments, the thickness of the cold gas layer in the six (nine) species case grows to
3 (0.3) kpc and the surface density evolves with a dominant transverse mode corresponding to a
scale of approximately 8 (1) kpc. Assuming a symmetric distribution of matter along the second
transverse direction, the fragment masses are approximately 10
7
(10
5
) solar masses.
5 Summary
This review is intended to provide a avor of the variety of numerical cosmological calculations
performed of dierent events occurring throughout the history of our Universe. The topics dis-
cussed range from the strong eld dynamical behavior of spacetime geometry at early times near
the Big Bang singularity and the epoch of ination, to the late time evolution of large scale matter
uctuations and the formation of clusters of galaxies. For the most part, the nature of the calcula-
tions dealing with the early or late Universe can be distinguished by their basic motivations. For
example, calculations of early Universe phenomena are designed to explore alternative cosmological
models or topologies, and in some cases, dierent theories of gravity. They also tend to study the
nature of topological singularities, geometric eects, and the problem of initial conditions or the
origin of matter distributions. Calculations of the late Universe are generally focused to establish
bounds on cosmological parameters in the context of the standard model, to resolve the correct
structure formation scenario, to model the complex multi-physics interactions operating at vastly
dierent scales, and to systematically compare invariant measures against observed data for both
model validation and interpreting observations.
Although a complete, self-consistent, and accurate description of our Universe is impractical
considering the complex multi-scale and multi-physics requirements, a number of enlightening re-
sults have been demonstrated through computations. For example, both monotonic AVTD and
chaotic oscillatory BLK behavior have been found in the asymptotic approach to the initial singu-
larity in a number of inhomogeneous cosmological models, though some issues remain concerning
the generic nature of the singularity, including the eect of nonlinear mode coupling of spatial gra-
dients to the oscillatory history, and the behavior in non-vacuum spacetimes with arbitrary global
topology. Numerical calculations suggest that scalar elds play an important complicated role in
the nonlinear or chaotic evolution of cosmological models with consequences for the triggering (or
not) of ination and the subsequent dynamics of structure formation. It is possible, for example,
that these elds can inuence the details of ination and have observable ramications as fractal
patterns in the density spectrum, gravitational waves, galaxy distribution, and cosmic microwave
background anisotropies. All these eects require further studies. Numerical simulations have also
been used to place limits on curvature anisotropies and cosmological parameters at early times by
considering primordial nucleosynthesis reactions in anisotropic and inhomogeneous cosmologies.
Finally, the large collection of calculations performed of the post-recombination epoch related to
large scale structure formation (for example, cosmic microwave background, gravitational lensing,
Ly absorption, and galaxy cluster simulations) have placed strong constraints on the standard
model parameters and structure formation scenarios when compared to observations. Considering
the range of models consistent with ination, the preponderance of observational, theoretical and
computational data suggest a best t model of the late structure-forming Universe that is spatially
at with a cosmological constant and a small tilt in the power spectrum. These best t model
parameters, and in particular the introduction of a cosmological constant, are generally consistent
with recent evidence of dark energy from supernovae and high precision CMBR observations.
Obviously many fundamental issues remain unresolved, including even the overall shape or
topology of the cosmological model which best describes our Universe throughout its entire history.
However, the eld of numerical cosmology has matured in the development of computational
techniques, the modeling of microphysics, and in taking advantage of current trends in computing
technologies, to the point that it is now possible to perform high resolution multiphysics simulations
and carry out reliable comparisons of numerical models with observational data.
40 Peter Anninos
6 Appendix: Basic Equations and Numerical Methods
Some basic equations relevant for fully relativistic as well as perturbative cosmological calculations
are summarized in this section, including the complete Einstein equations, choices of kinematical
conditions, initial data constraints, stress-energy-momentum tensors, dynamical equations for var-
ious matter sources, and the Newtonian counterparts on background isotropic models. References
to numerical methods are also provided.
6.1 The Einstein equations
6.1.1 ADM formalism
There are many ways to write the Einstein equations. The most common is the ADM or 3 +1
form [23] which decomposes spacetime into layers of three-dimensional space-like hypersurfaces,
threaded by a time-like normal congruence n
= (1,
i
)/, where we use Greek (Latin) indices
to specify spacetime (spatial) quantities. The general spacetime metric is written as
ds
2
= (
2
+
i
i
) dt
2
+ 2
i
dx
i
dt +
ij
dx
i
dx
j
, (8)
where and
i
are the lapse function and shift vector respectively, and
ij
is the spatial 3-metric.
The lapse denes the proper time between consecutive layers of spatial hypersurfaces, the shift
propagates the coordinate system from 3-surface to 3-surface, and the induced 3-metric is related
to the 4-metric via
= g
+ n
. The Einstein equations are written as four constraint

equations,
(3)
R +K
2
K
ij
K
ij
= 16G
H
, (9)
i
_
K
ij
ij
K
_
= 8Gs
j
, (10)
twelve evolution equations,
ij
= L
ij
2K
ij
,
t
K
ij
= L
K
ij

i
j
+
_
(3)
R
ij
2K
ik
K
k
j
+KK
ij
8G
_
s
ij

1
2
s
ij
+
1
2
ij
__
,
(11)
and four kinematical or coordinate conditions for the lapse function and shift vector that can be
specied arbitrarily (see Section 6.1.2). Here K
ij
is the extrinsic curvature describing how the
3-metric evolves along a time-like normal vector. It is formally dened as the Lie derivative (L
n
)
of the spatial metric along the vector n
, K
ij
L
n
ij
/2. Also,
L
ij
=
i
j
+
j
i
,
L
K
ij
=
k
k
K
ij
+K
ik
k
+K
kj
k
,
(12)
where
i
is the spatial covariant derivative with respect to
ij
,
(3)
R
ij
is the spatial Ricci tensor, K
is the trace of the extrinsic curvature K
ij
, and G is the gravitational constant. The matter source
terms
H
, s
j
, s
ij
and s = s
i
i
as seen by the observers at rest in the time slices are obtained from
the appropriate projections
H
= n
, (13)
s
i
=
i
n
, (14)
s
ij
=
j
T
(15)
for the energy density, momentum density and spatial stresses, respectively. Here c = 1, and Greek
(Latin) indices refer to 4(3)-dimensional quantities.
It is worth noting that several alternative formulations of Einsteins equations have been sug-
gested, including hyperbolic systems [136] which have nice mathematical properties, and conformal
traceless systems [147, 31] which make use of a conformal decomposition of the 3-metric and trace-
free part of the extrinsic curvature A
ij
= K
ij
ij
K/3. Introducing
ij
= e
4
ij
with e
4
=
1/3
so that the determinant of
ij
is unity, and

A
ij
= e
4
A
ij
, evolution equations can be written in
the conformal traceless system for ,
ij
, K,

A
ij
and the conformal connection functions, though
not all of these variables are independent. However, it is not yet entirely clear which of these
methods is best suited for generic problems. For example, hyperbolic forms are easier to charac-
terize mathematically than ADM and may potentially be more stable, but can suer from greater
inaccuracies by introducing additional equations or higher order derivatives. Conformal treatments
are considered to be generally more stable [31], but can be less accurate than traditional ADM for
short term evolutions [6].
Many numerical methods have been used to solve the Einstein equations, including variants
of the leapfrog scheme, the method of McCormack, the two-step LaxWendro method, and the
iterative CrankNicholson scheme, among others. For a discussion and comparison of the dierent
methods, the reader is referred to [43], where a systematic study was carried out on spherically
symmetric black hole spacetimes using traditional ADM, and to [31, 6, 13] (and references therein)
which discuss the stability and accuracy of hyperbolic and conformal treatments.
6.1.2 Kinematic conditions
For cosmological simulations, one typically takes the shift vector to be zero, hence L
ij
= L
K
ij
=
0. However, the shift can be used advantageously in deriving conditions to maintain the 3-metric
in a particular form, and to simplify the resulting dierential equations [59, 60]. See also [146]
describing an approximate minimum distortion gauge condition used to help stabilize simulations
of general relativistic binary clusters and neutron stars.
Several options can be implemented for the lapse function, including geodesic ( = 1), algebraic,
and mean curvature slicing. The algebraic condition takes the form
= F
1
(x
)F
2
(), (16)
where F
1
(x
) is an arbitrary function of coordinates x
, and F
2
() is a dynamic function of
the determinant of the 3-metric. This choice is computationally cheap, simple to implement,
and certain choices of F
2
(i.e., 1 + ln) can mimic maximal slicing in its singularity avoidance
properties [8]. On the other hand, numerical solutions derived from harmonically-sliced foliations
can exhibit pathological gauge behavior in the form of coordinate shocks or singularities which
will aect the accuracy, convergence and stability of solutions [5, 86]. Also, evolutions in which the
lapse function is xed by some analytically prescribed method (either geodesic or near-geodesic)
can be unstable, especially for sub-horizon scale perturbations [7].
The mean curvature slicing equation is derived by taking the trace of the extrinsic curvature
evolution equation (11),
i
=
_
K
ij
K
ij
+ 4G(
H
+s)
+
i
i
K
t
K, (17)
and assuming K = K(t), which can either be specied arbitrarily or determined by imposing a
boundary condition on the lapse function after solving Equation (17) for the quantity /
t
K [60].
It is also useful to consider replacing
t
K in Equation (17) with an exponentially driven form as
suggested by Eppley [71], to reduce gauge drifting and numerical errors in maximal [25] and mean
curvature [7] sliced spacetimes. The mean curvature slicing condition is the most natural one for
cosmology as it foliates homogeneous cosmological spacetimes with surfaces of homogeneity. Also,
since K represents the convergence of coordinate curves from one slice to the next and if it is
42 Peter Anninos
constant, then localized caustics (crossing of coordinate curves) and true curvature singularities
can be avoided. Whether general inhomogeneous spacetimes can be foliated with constant mean
curvature surfaces remains unknown. However, for Gowdy spacetimes with two Killing elds and
topology T
3
R, Isenberg and Moncrief [97] proved that such foliations do exist and cover the
entire spacetime.
6.1.3 Symplectic formalism
A dierent approach to conventional (i.e., 3 +1 ADM) techniques in numerical cosmology has been
developed by Berger and Moncrief [40]. For example, they consider Gowdy cosmologies on T
3
R
with the metric
ds
2
= e
/2
e
/2
_
e
2
d
2
+d
2
_
+e
_
e
P
d
2
+ 2e
P
Qd d +
_
e
P
Q
2
+e
P
_
d
2
, (18)
where , P and Q are functions of and , and the coordinates are bounded by 0 (, , ) 2.
The singularity corresponds to the limit . For small amplitudes, P and Q may be identied
with + and polarized gravitational wave components and with the background cosmology
through which they propagate. An advantage of this formalism is that the initial value problem
becomes trivial since P, Q and their rst derivatives may be specied arbitrarily (although it is
not quite so trivial in more general spacetimes).
Although the resulting Einstein equations can be solved in the usual spacetime discretization
fashion, an interesting alternative method of solution is the symplectic operator splitting formu-
lation [40, 121] founded on recognizing that the second order equations can be obtained from the
variation of a Hamiltonian decomposed into kinetic and potential subhamiltonians,
H = H
1
+H
2
=
1
2
_
2
0
d
_
2
P
+e
2P
2
Q
_
+
1
2
_
2
0
d e
2
_
P
2
,
+e
2P
Q
2
,
_
. (19)
The symplectic method approximates the evolution operator by
e
H
= e
H
2
/2
e
H
1
e
H
2
/2
+O()
3
, (20)
although higher order representations are possible. If the two Hamiltonian components H
1
and
H
2
are each integrable, their solutions can be substituted directly into the numerical evolution to
provide potentially more accurate solutions with fewer time steps [36]. This approach is well-suited
for studies of singularities if the asymptotic behavior is determined primarily by the kinetic sub-
hamiltonian, a behavior referred to as Asymptotically Velocity Term Dominated (see Section 3.1.2
and [37]).
Symplectic integration methods are applicable to other spacetimes. For example, Berger et
al. [39] developed a variation of this approach to explicitly take advantage of exact solutions
for scattering between Kasner epochs in Mixmaster models. Their algorithm evolves Mixmaster
spacetimes more accurately with larger time steps than previous methods.
6.1.4 Regge calculus model
A unique approach to numerical cosmology (and numerical relativity in general) is the method of
Regge Calculus in which spacetime is represented as a complex of 4-dimensional, geometrically at
simplices. The principles of Einsteins theory are applied directly to the simplicial geometry to
form the curvature, action, and eld equations, in contrast to the nite dierence approach where
the continuum eld equations are dierenced on a discrete mesh.
A 3-dimensional code implementing Regge Calculus techniques was developed recently by Gen-
tle and Miller [81] and applied to the Kasner cosmological model. They also describe a procedure
to solve the constraint equations for time asymmetric initial data on two spacelike hypersurfaces
constructed from tetrahedra, since full 4-dimensional regions or lattices are used. The new method
is analogous to Yorks procedure (see [163] and Section 6.3) where the conformal metric, trace
of the extrinsic curvature, and momentum variables are all freely speciable. These early results
are promising in that they have reproduced the continuum Kasner solution, achieved second order
convergence, and sustained numerical stability. Also, Barnett et al. [29] discuss an implicit evo-
lution scheme that allows local (vertex) calculations for ecient parallelism. However, the Regge
Calculus approach remains to be developed and applied to more general spacetimes with complex
topologies, extended degrees of freedom, and general source terms.
6.2 Sources of matter
6.2.1 Cosmological constant
A cosmological constant is implemented in the 3 +1 framework simply by introducing the quantity
/(8G) as an eective isotropic pressure in the stress-energy tensor
T
=

8G
g
. (21)
The matter source terms can then be written as
H
=

8G
, (22)
s
ij
=

8G
ij
, (23)
with s
i
= 0.
6.2.2 Scalar eld
The dynamics of scalar elds is governed by the Lagrangian density
L =
1
2
g [g
+Rf() + 2V ()] , (24)

where R is the scalar Riemann curvature, V () is the interaction potential, f() is typically
assumed to be f() =
2
, and is the eld-curvature coupling constant ( = 0 for minimally
coupled elds and = 1/6 for conformally coupled elds). Varying the action yields the Klein
Gordon equation
g
V () = 0, (25)
for the scalar eld and
T
= (1 2)
+
_
2
1
2
_
g
+ 2g
+G
2
g
V (), (26)
for the stress-energy tensor, where G
= R
R/2.
For a massive, minimally coupled scalar eld [46],
T

1
2
g
V (), (27)
44 Peter Anninos
and
H
=
1
2
ij
j
+
1
2
2
+V (), (28)
s
i
=
i
, (29)
s
ij
=
ij
_
1
2
kl
l
+
1
2
2
V ()
_
+
i
j
, (30)
where
= n
=
1
(
t
k
), (31)
n
= (1,
i
)/, and V () is a general potential which, for example, can be set to V =
4
in the
chaotic ination model. The covariant form of the scalar eld equation (25) can be expanded as
in [107] to yield
1
k
_
=
1
i
(
ij
j
) +
1
ij
j
+K
V (), (32)
which, when coupled to Equation (31), determines the evolution of the scalar eld.
6.2.3 Collisionless dust
The stress-energy tensor for a uid composed of collisionless particles (or dark matter) can be
written simply as the sum of the stress-energy tensors for each particle [161],
T
mnu
, (33)
where m is the rest mass of the particles, n is the number density in the comoving frame, and u
is the 4-velocity of each particle. The matter source terms are
H
=
mn(u
0
)
2
, (34)
s
i
=
mnu
i
(u
0
), (35)
s
ij
=
mnu
i
u
j
. (36)
There are two conservation laws: the conservation of particles
(nu
) = 0, and the conservation

of energy-momentum
= 0, where
is the covariant derivative in the full 4-dimensional

spacetime. Together these conservation laws lead to u
= 0, the geodesic equations of motion

for the particles, which can be written out more explicitly in the computationally convenient form
dx
i
dt
=
g
i
u
u
0
, (37)
du
i
dt
=
u
i
g
2u
0
, (38)
where x
i
is the coordinate position of each particle, u
0
is determined by the normalization u
=
1,
d
dt
v
=
t
+v
i
i
(39)
is the Lagrangian derivative, and v
= u
/u
0
is the transport velocity of the particles as measured
by observers at rest with respect to the coordinate grid.
6.2.4 Ideal gas
The stress-energy tensor for a perfect uid is
T
= hu
+Pg
, (40)
where g
is the 4-metric, h = 1 + +P/ is the relativistic enthalpy, and , P, and u
are the
specic internal energy (per unit mass), pressure, rest mass density and four-velocity of the uid.
Dening V
i
= u
i
/u
0
and
u = n
= u
0
=
_
1 +u
i
u
i
_
1/2
=
_
1
V
i
V
i
2
_
1/2
, (41)
as the generalization of the special relativistic boost factor, the matter source terms become
H
= hu
2
P, (42)
s
i
= huu
i
, (43)
s
ij
= P
ij
+hu
i
u
j
. (44)
The hydrodynamics equations are derived from the normalization of the 4-velocity, u
= 1,
the conservation of baryon number,
(u
) = 0, and the conservation of energy-momentum,
= 0. The resulting equations can be written in ux conservative form as [162]

D
t
+
(DV
i
)
x
i
= 0, (45)
E
t
+
(EV
i
)
x
i
+P
W
t
+P
(WV
i
)
x
i
= 0, (46)
S
i
t
+
(S
i
V
j
)
x
j

S
2S
0
g
x
i
+
g
P
x
i
= 0, (47)
where W =

gu
0
, D = W, E = W, S
i
= Whu
i
, and g is the determinant of the 4-metric
satisfying
g =
. A prescription for specifying an equation of state (e.g., P = (1)E/W =

( 1) for an ideal gas) completes the above equations.
When solving Equations (45, 46, 47), an articial viscosity method is needed to handle the
formation and propagation of shock fronts [162, 85, 84]. These methods are computationally
cheap, easy to implement, and easily adaptable to multi-physics applications. However, it has
been demonstrated that problems involving very high Lorentz factors are somewhat sensitive to
dierent implementations of the viscosity terms, and can result in substantial numerical errors if
solved using time explicit methods [126].
On the other hand, a number of dierent formulations [75] of these equations have been de-
veloped to take advantage of the hyperbolic and conservative nature of the equations in using
high resolution and non-oscillatory shock capturing schemes (although strict conservation is only
possible in at spacetimes curved spacetimes exhibit source terms due to geometry). These
techniques potentially provide more accurate and stable treatments in highly relativistic regimes.
A particular formulation used together with high resolution Godunov techniques and approximate
Riemann solvers is the following [139, 26]:
U( w)
t
+

g F
i
( w)
x
i
=
g S( w), (48)
where
S( w) =
_
0, T
_
g
j
x
g
j
_
,
_
T
0
ln
x
__
, (49)
F
i
( w) =
_
D
_
v
i
_
, S
j
_
v
i
_
+P
i
j
, (E D)
_
v
i
_
+Pv
i
_
, (50)
46 Peter Anninos
and w = (, v
i
, ), U( w) = (D, S
i
, E D), E = h

W
2
P, S
j
= h

W
2
v
j
, D =

W, v
i
=
ij
v
j
=
u
i
/(u
0
) +
i
/, and

W = u
0
= (1
ij
v
i
v
j
)
1/2
.
Although Godunov-type schemes are accepted as more accurate alternatives to AV methods,
especially in the limit of high Lorentz factors, they are not immune to problems and should
generally be used with caution. They may produce unexpected results in certain cases that can
be overcome only with problem-specic xes or by adding additional dissipation. A few known
examples include the admittance of expansion shocks, negative internal energies in kinematically
dominated ows, the carbuncle eect in high Mach number bow shocks, kinked Mach stems,
and odd/even decoupling in mesh-aligned shocks [135]. Godunov methods, whether they solve the
Riemann problem exactly or approximately, are also computationally much more expensive than
their simpler AV counterparts, and it is more dicult to incorporate additional physics.
A third class of computational uid dynamics methods reviewed here is also based on a conser-
vative hyperbolic formulation of the hydrodynamics equations. However, in this case the equations
are derived directly from the conservation of stress-energy,
=
1
_
gT
_
+
= 0, (51)
to give
D
t
+
(DV
i
)
x
i
= 0, (52)
E
t
+
(EV
i
)
x
i
+
[
g (g
0i
g
00
V
i
) P]
x
i
=
0
, (53)
S
j
t
+
(S
j
V
i
)
x
i
+
[
g (g
ij
g
0j
V
i
) P]
x
i
=
j
, (54)
with curvature source terms
g T
. The variables D and V

i
are the same as those
dened in the internal energy formulation, but now
E = Whu
0
+
g g
00
P, (55)
S
i
= Whu
i
+
g g
0i
P (56)
are dierent expressions for energy and momenta. An alternative approach of using high resolution,
non-oscillatory, central dierence (NOCD) methods [99, 100] has been applied by Anninos and
Fragile [12] to solve the relativistic hydrodynamics equations in the above form. These schemes
combine the speed, eciency, and exibility of AV methods with the advantages of the potentially
more accurate conservative formulation approach of Godunov methods, but without the cost and
complication of Riemann solvers and ux splitting.
NOCD and articial viscosity methods have been discussed at length in [12] and compared also
with other published Godunov methods on their abilities to model shock tube, wall shock and black
hole accretion problems. They nd that for shock tube problems at moderate to high boost fac-
tors, with velocities up to V 0.99, internal energy formulations using articial viscosity methods
compare quite favorably with total energy schemes, including NOCD methods and Godunov meth-
ods using either approximate or exact Riemann solvers. However, AV methods can be somewhat
sensitive to parameters (e.g., viscosity coecients, Courant factor, etc.) and generally suspect in
wall shock problems at high boost factors (V > 0.95). On the other hand, NOCD methods can
easily be extended to ultra-relativistic velocities (1V < 10
11
) for the same wall shock tests, and
are comparable in accuracy to the more standard but complicated Riemann solver codes. NOCD
schemes thus provide a reasonable alternative for relativistic hydrodynamics, though it should be
noted that low order versions of these methods can be signicantly more diusive than either the
AV or Godunov methods.
6.2.5 Imperfect uid
The perfect uid equations discussed in Section 6.2.4 can be generalized to include viscous stress
in the stress-energy tensor,
T
= [T
ideal
] + [T
viscous
] (57)
= [hu
+Pg
] [2
+(g
+u
)], (58)
where 0 and 0 are the dynamic shear and bulk viscosity coecients, respectively. Also,
=
is the expansion of uid world lines,
is the trace-free spatial shear tensor with
=
1
2
_
h
+h
1
3
h
, (59)
and h
= g
+u
is the projection tensor.

The corresponding energy and momentum conservation equations for the internal energy for-
mulation of Section 6.2.4 become
E
t
+P
W
t
+
(Ev
i
)
x
i
+P
(Wv
i
)
x
i
=
g u
viscous
, (60)
S
j
t
+
(S
j
v
i
)
x
i
+
g
P
x
j

S
2S
0
g
x
j
=
g g
j
viscous
. (61)
For the NOCD formulation discussed in Section 6.2.4 it is sucient to replace the source terms in
the energy and momentum equations (53, 53, 54) by
gT

t
(
g T
0
viscous
)

x
j
(
g T
j
viscous
). (62)
6.3 Constrained nonlinear initial data
One cannot take arbitrary data to initiate an evolution of the Einstein equations. The data must
satisfy the constraint equations (9) and (10). York [163] developed a procedure to generate proper
initial data by introducing conformal transformations of the 3-metric
ij
=
4

ij
, the trace-free
momentum components A
ij
= K
ij

ij
K/3 =
10

A
ij
, and matter source terms s
i
=
10
s
i
and
H
=
n

H
, where n > 5 for uniqueness of solutions to the elliptic equation (63) below. In
this procedure, the conformal (or hatted) variables are freely speciable. Further decomposing
the free momentum variables into transverse and longitudinal components

A
ij
=

A
ij
+(
lw)
ij
, the
Hamiltonian and momentum constraints are written as
R
8
+
1
8

A
ij

A
ij
1
12
K
2
5
+ 2G
5n
= 0, (63)
(
j
w)
i
+
1
3

i
_
j
w
j
_
+

R
i
j
w
j
2
3
i
K 8G s
i
= 0, (64)
where the longitudinal part of

A
ij
is reconstructed from the solutions by
(
lw)
ij
=

i
w
j
+

j
w
i
2
3

ij

k
w
k
. (65)
The transverse part of

A
ij
is constrained to satisfy

j

A
ij
=

A
j
j
= 0.
Equations (63) and (64) form a coupled nonlinear set of elliptic equations which must be solved
iteratively, in general. The two equations can, however, be decoupled if a mean curvature slicing
(K = K(t)) is assumed. Given the free data K,
ij
, s
i
and , the constraints are solved for

A
ij
,
48 Peter Anninos
(
lw)
ij
and . The actual metric
ij
and curvature K
ij
are then reconstructed by the corresponding
conformal transformations to provide the complete initial data. Anninos [7] describes a procedure
using Yorks formalism to construct parametrized inhomogeneous initial data in freely speciable
background spacetimes with matter sources. The procedure is general enough to allow gravitational
wave and Coulomb nonlinearities in the metric, longitudinal momentum uctuations, isotropic and
anisotropic background spacetimes, and can accommodate the conformal-Newtonian gauge to set
up gauge invariant cosmological perturbation solutions as free data.
6.4 Newtonian limit
The Newtonian limit is dened by spatial scales much smaller than the horizon radius, peculiar
velocities small compared to the speed of light, and a gravitational potential that is both much
smaller than unity (in geometric units) and slowly varying in time. A comprehensive review of the
theory of cosmological perturbations can be found in [124].
6.4.1 Dark and baryonic matter equations
The appropriate perturbation equations in this limit are easily derived for a background FLRW
expanding model, assuming a metric of the form
ds
2
= (1 + 2) dt
2
+a(t)
2
(1 2)
ij
dx
i
dx
j
, (66)
where
ij
=
i
j
_
1 +
kr
2
4
_
2
, (67)
and k = 1, 0, + 1 for open, at and closed Universes. Also, a 1/(1 + z) is the cosmological
scale factor, z is the redshift, and is the comoving inhomogeneous gravitational potential.
The governing equations in the Newtonian limit are the hydrodynamic conservation equations,

b
t
+

x
i
(
b
v
i
b
) + 3
a
a

b
= 0, (68)
(
b
v
j
b
)
t
+

x
i
(
b
v
i
b
v
j
b
) + 5
a
a

b
v
j
b
+
1
a
2
p
x
j
+

b
a
2
x
j
= 0, (69)
e
t
+

x
i
( ev
i
b
) + p
v
i
b
x
i
+ 3
a
a
( e + p) =

S
cool
, (70)
the geodesic equations for collisionless dust or dark matter (in comoving coordinates),
dx
i
d
dt
= v
i
d
, (71)
dv
i
d
dt
= 2
a
a
v
i
d
1
a
2
x
i
, (72)
Poissons equation for the gravitational potential,
= 4Ga
2
(
b
+
d

0
), (73)
and the Friedman equation for the cosmological scale factor,
da
dt
= H
0
_
m
(
1
a
1) +
(a
2
1) + 1
_
1/2
. (74)
Here
d
,
b
, p and e are the dark matter density, baryonic density, pressure and internal en-
ergy density in the proper reference frame, x
i
and v
i
b
are the baryonic comoving coordinates and
peculiar velocities, x
i
d
and v
i
d
are the dark matter comoving coordinates and peculiar velocities,

0
= 3H
2
0
0
/(8Ga
3
) is the proper background density of the Universe,
0
is the total density
parameter,
m
=
b
+
d
is the density parameter including both baryonic and dark matter
contributions,
= /(3H
2
0
) is the density parameter attributed to the cosmological constant ,
H
0
= 100 h km s
1
Mpc
1
is the present Hubble constant with 0.5 < h < 1, and

S
cool
represents
microphysical radiative cooling and heating rates which can include Compton cooling (or heating)
due to interactions of free electrons with the CMBR, bremsstrahlung, and atomic and molecular
line cooling. Notice that tilded (non-tilded) variables refer to proper (comoving) reference frame
attributes.
An alternative total energy conservative form of the hydrodynamics equations that allows high
resolution Godunov-type shock capturing techniques is
b
t
+
1
a
x
i
(
b
v
i
b
) = 0, (75)
(
b
v
j
b
)
t
+
1
a
x
i
(
b
v
i
b
v
j
b
+p
ij
) +
a
a
b
v
j
b
+

b
a
x
j
= 0, (76)
E
t
+
1
a
x
i
(E v
i
b
+p v
i
b
) +
2 a
a
E +

b
v
i
b
a
x
i
= S
cool
, (77)
with the corresponding particle and gravity equations
dx
i
d
dt
=
v
i
d
a
, (78)
d v
i
d
dt
=
a
a
v
i
d
1
a
x
i
, (79)
=
4G
a
(
b
+
d
0
), (80)
where
b
is the comoving density,
0
= a
3

0
, v
i
b
is the proper frame peculiar velocity, p is the
comoving pressure, E =
b
v
2
b
/2 +p/( 1) is the total peculiar energy per comoving volume, and
is the gravitational potential.

6.4.2 Primordial chemistry
The baryonic equations from the previous section are easily extended to include reactive chemistry
of both atomic and molecular species (e.g., H, H
+
, He, He
+
, He
++
, H
, H
+
2
, H
2
, and e
) by
assuming a common ow eld, supplementing the total mass conservation equation (68) with

j
t
+

x
i
(
j
v
i
b
) + 3
a
a

j
=
l
k
il
(T)
i

l
+
i
I
i

i
(81)
for each of the species, and including the eects of non-equilibrium radiative cooling and consistent
coupling to the hydrodynamics equations. The k
il
(T) are rate coecients for the two body reactions
and are generally incorporated in numerical codes as tabulated functions of the gas temperature T.
The I
i
are integrals evaluating the photoionization and photodissociation of the dierent species.
A fairly complete chemical network system useful for primordial gas phase compositions, includ-
ing hydrogen molecules, consists of the following collisional, photoionization, and photodissociation
chains
50 Peter Anninos
Collisional reactions (primordial chain):
(1) H +e H
+
+ 2e
(2) H +e H
+
+ 2e
(3) H +e H
+
+ 2e
(4) H +e H
+
+ 2e
(5) He
+
+e He
++
+ 2e
(6) He
++
+e He
+
+
Collisional reactions (H
2
molecular chain):
(7) H +e H
+
(8) H +e H
+
(9) H +e H
+
(10) H +e H
+
(11) H +e H
+
(12) H +e H
+
(13) H +e H
+
(14) H +e H
+
(15) H +e H
+
(16) H +e H
+
(17) H +e H
+
(18) H
+
2
+ H
H
2
+ H
(19) H
+
2
+ H
H
2
+ H
Photoionization reactions (primordial chain):
(20) H + H
+
+e
(21) He + He
+
+e
(22) He
+
+ He
++
+e
Photodissociation/ionization reactions (molecular chain):
(23) H
+ H +e
(24) H
+ H +e
(25) H
+ H +e
(26) H
+ H +e
(27) H
2
+ 2H
For a comprehensive description of the chemistry and explicit formulas modeling the kinetic and
cooling rates relevant for cosmological calculations, the reader is referred to [92, 144, 54, 1, 21]. This
reactive network is by no means complete, and in fact, ignores important coolants and contaminants
(e.g., HD, LiH, and their intermediary products [151, 78, 48]) expected to form through non-
equilibrium reactions at low temperatures and high densities. Although it is certainly possible to
include even in three dimensional simulations, the inclusion of more complex reactants demands
either more computational resources (to resolve both the chemistry and cooling scales) or an
increasing reliance on equilibrium assumptions which can be very inaccurate.
6.4.3 Numerical methods
Many numerical techniques have been developed to solve the hydrodynamic and collisionless par-
ticle equations. For the hydrodynamic equations, the methods range from Lagrangian SPH algo-
rithms with articial viscosity [72, 88], to high resolution shock capturing Eulerian techniques on
single static meshes [142, 134], nested grids [19], moving meshes [82], and adaptive mesh rene-
ment [51]. For the dark matter equations, the canonical choices are treecodes [159] or PM and
P
3
M methods [90, 68], although many variants have been developed to optimize computational
performance and accuracy, including adaptive mesh, particle, and smoothing kernel renement
methods [45, 77, 130]. An ecient method for solving non-equilibrium, multi-species chemical re-
active ows together with the hydrodynamic equations in a background FLRW model is described
in [1, 21].
It is beyond the scope of this review to discuss algorithmic details of the dierent methods and
their strengths and weaknesses. Instead, the reader is referred to [103, 77] for thorough comparisons
of various numerical methods applied to problems of structure formation. Kang et al. [103] compare
(by binning data at dierent resolutions) the statistical performance of ve codes (three Eulerian
and two SPH) on the problem of an evolving CDM Universe on large scales using the same initial
data. The results indicate that global averages of physical attributes converge in rebinned data,
but that some uncertainties remain at small levels. Frenk et al. [77] compare twelve Lagrangian and
Eulerian hydrodynamics codes to resolve the formation of a single X-ray cluster in a CDM Universe.
The study nds generally good agreement for both dynamical and thermodynamical quantities,
but also shows signicant dierences in the X-ray luminosity, a quantity that is especially sensitive
to resolution [17].
6.4.4 Linear initial data
The standard Zeldovich solution [165, 68] is commonly used to generate initial conditions sat-
isfying observed or theoretical power spectra of matter density uctuations. Comoving physical
displacements and velocities of the collisionless dark matter particles are set according to the power
spectrum realization
(k)
2
k
n
T
2
(k), (82)
where the complex phases are chosen from a gaussian random eld, T(k) is a transfer function [27]
appropriate to a particular structure formation scenario (e.g., CDM), and n = 1 corresponds to
the HarrisonZeldovich power spectrum. The uctuations are normalized with top hat smoothing
using
2
8
=
1
b
2
=
_

0
4k
2
P(k)W
2
(k) dk, (83)
where b is the bias factor chosen to match present observations of rms density uctuations in a
spherical window of radius R
h
= 8 h
1
Mpc. Also, P(k) is the Fourier transform of the square of
the density uctuations in Equation (82), and
W(k) =
3
(kR
h
)
3
(sin(kR
h
) (kR
h
) cos(kR
h
)) (84)
is the Fourier transform of a spherical window of radius R
h
.
Overdensity peaks can be ltered on specied spatial or mass scales by Gaussian smoothing
the random density eld [27]
(r
o
) =
1
(2R
2
f
)
3/2
_

(r
) exp
_
|r
o
r
|
2
2R
2
f
_
d
3
r
(85)
52 Peter Anninos
on a comoving scale R
f
centered at r = r
o
(for example, R
f
= 5 h
1
Mpc with a ltered mass of
M
f
10
15
M
over cluster scales). N peaks are generated by sampling dierent random eld
realizations to satisfy the condition = (r
o
)/(R
f
) = N, where (R
f
) is the rms of Gaussian
ltered density uctuations over a spherical volume of radius R
f
.
Bertschinger [44] has provided a useful and publicly available package of programs called COS-
MICS for computing transfer functions, CMB anisotropies, and gaussian random initial conditions
for numerical structure formation calculations. The package solves the coupled linearized Ein-
stein, Boltzman, and uid equations for scalar metric perturbations, photons, neutrinos, baryons,
and collisionless dark matter in a background isotropic Universe. It also generates constrained or
unconstrained matter distributions over arbitrarily speciable spatial or mass scales.
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Computational Cosmology: From The Early Universe To The Large Scale Structure

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Computational Cosmology: From the Early Universe to the

Large Scale Structure

, as indicated in Figure 2. This epoch of pop III star generation is followed

. The Jeans mass then decreases as the

, and the dark energy

. The relative contributions of each

are the anisotropy canonical

are the scale factor and anisotropies, and p

are the corresponding

I) 125 and widths 0.08 l

in a critically closed Cold

, according to the reactive network described in

forms from a halo of about 10

(where a signicant number fraction

) to investigate the initial mass function of

which then grow by accretion

. This represents reductions of 50 and 10

. The Einstein equations are written as four constraint

) is an arbitrary function of coordinates x

+Rf() + 2V ()] , (24)

is the 4-velocity of each particle. The matter source terms are

) = 0, and the conservation

is the covariant derivative in the full 4-dimensional

= 0, the geodesic equations of motion

is the 4-metric, h = 1 + +P/ is the relativistic enthalpy, and , P, and u

) = 0, and the conservation of energy-momentum,

= 0. The resulting equations can be written in ux conservative form as [162]

. A prescription for specifying an equation of state (e.g., P = (1)E/W =

. The variables D and V

is the expansion of uid world lines,

is the trace-free spatial shear tensor with

is the projection tensor.

is the gravitational potential.

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