| Preface | p. vii |
| Preface to the First Edition | p. xi |
| Glossary of Technical Terms | p. xxi |
| Time Reversibility, Computer Simulation, Algorithms, Chaos | p. 1 |
| Microscopic Reversibility; Macroscopic Irreversibility | p. 1 |
| Time Reversibility of Irreversible Processes | p. 6 |
| Classical Microscopic and Macroscopic Simulation | p. 8 |
| Continuity, Information, and Bit Reversibility | p. 10 |
| Instability and Chaos | p. 11 |
| Simple Explanations of Complex Phenomena | p. 13 |
| The Paradox: Irreversibility from Reversible Dynamics | p. 15 |
| Algorithm: Fourth-Order Runge-Kutta Integrator | p. 16 |
| Example Problems | p. 20 |
| Equilibrium Baker Map | p. 21 |
| Equilibrium Galton Board | p. 25 |
| Equilibrium Hookean Pendulum | p. 29 |
| Nosé-Hoover Oscillator with a Temperature Gradient | p. 32 |
| Summary and Notes | p. 36 |
| Notes and References | p. 37 |
| Time-Reversibility in Physics and Computation | p. 39 |
| Introduction | p. 39 |
| Time Reversibility | p. 41 |
| Levesque and Verlet's Bit-Reversible Algorithm | p. 44 |
| Lagrangian and Hamiltonian Mechanics | p. 46 |
| Liouville's Incompressible Theorem | p. 49 |
| What is Macroscopic Thermodynamics? | p. 50 |
| First and Second Laws of Thermodynamics | p. 52 |
| Temperature, Zeroth Law, Reservoirs, Thermostats | p. 54 |
| Irreversibility from Stochastic Irreversible Equations | p. 58 |
| Irreversibility from Time-Reversible Equations? | p. 60 |
| An Algorithm Implementing Bit-Reversible Dynamics | p. 61 |
| Example Problems | p. 67 |
| Time-Reversible Dissipative Map | p. 68 |
| A Smooth-Potential Galton Board | p. 73 |
| Summary | p. 77 |
| Notes and References | p. 78 |
| Gibbs' Statistical Mechanics | p. 81 |
| Scope and History | p. 81 |
| Formal Structure of Gibbs' Statistical Mechanics | p. 83 |
| Initial Conditions, Boundary Conditions, Ergodicity | p. 86 |
| From Hamiltonian Dynamics to Gibbs' Probability | p. 89 |
| From Gibbs' Probability to Thermodynamics | p. 90 |
| Pressure and Energy from Gibbs' Canonical Ensemble | p. 92 |
| Gibbs' Entropy versus Boltzmann's Entropy | p. 93 |
| Number-Dependence and Thermodynamics Fluctuations | p. 96 |
| Green and Kubo's Linear-Response Theory | p. 97 |
| An Algorithm for Local Smooth-Particle Averages | p. 99 |
| Example Problems | p. 103 |
| Quasiharmonic Thermodynamics | p. 104 |
| Hard-Disk and Hard-Sphere Thermodynamics | p. 106 |
| Time-Reversible Confined Free Expansion | p. 108 |
| Summary | p. 111 |
| Notes and References | p. 112 |
| Irreversibility in Real Life | p. 113 |
| Introduction | p. 113 |
| Phenomenology - the Linear Dissipative Laws | p. 116 |
| Microscopic Basis of the Irreversible Linear Laws | p. 117 |
| Solving the Linear Macroscopic Equations | p. 119 |
| Nonequilibrium Entropy Changes | p. 120 |
| Fluctuations and Nonequilibrium States | p. 123 |
| Deviations from the Phenomenological Linear Laws | p. 124 |
| Causes of Irreversibility à la Boltzmann and Lyapunov | p. 126 |
| Rayleigh-Bénard Algorithm with Atomistic Flow | p. 128 |
| Rayleigh-Bénard Algorithm for a Continuum | p. 135 |
| Three Rayleigh-Bénard Example Problems | p. 140 |
| Rayleigh-Bénard Flow via Lorenz' Attractor | p. 142 |
| Rayleigh-Bénard Flow with Continuum Mechanics | p. 144 |
| Rayleigh-Bénard Flow with Molecular Dynamics | p. 154 |
| Summary | p. 159 |
| Notes and References | p. 160 |
| Microscopic Computer Simulation | p. 163 |
| Introduction | p. 163 |
| Integrating the Motion Equations | p. 164 |
| Interpretation of Results | p. 165 |
| Control of a Falling Particle | p. 168 |
| Second Law of Thermodynamics | p. 176 |
| Simulating Shear Flow and Heat Flow | p. 177 |
| Shockwaves | p. 181 |
| Algorithm for Periodic Shear Flow with Doll's Tensor | p. 184 |
| Example Problems | p. 188 |
| Isokinetic Nonequilibrium Galton Board | p. 189 |
| Heat-Conducting One-Dimensional Oscillator | p. 192 |
| Many-Body Heat Flow | p. 195 |
| Summary | p. 196 |
| Notes and References | p. 197 |
| Shockwaves Revisited | p. 199 |
| Introduction | p. 199 |
| Equation of State Information from Shockwaves | p. 201 |
| Shockwave Conditions for Molecular Dynamics | p. 203 |
| Shockwave Stability | p. 206 |
| Thermodynamic Variables | p. 214 |
| Shockwave Profiles from Continuum Mechanics | p. 215 |
| Shockwave Profile with Shear Viscosity | p. 217 |
| Shockwave Profile with Viscosity and Conductivity | p. 220 |
| Shockwave Profiles with Tensor Temperatures | p. 222 |
| Flow Algorithm with Maxwell-Cattaneo Time Delays | p. 223 |
| Comparing Model Profiles with Molecular Dynamics | p. 229 |
| Lyapunov Instability in Strong Shockwaves | p. 232 |
| Summary | p. 238 |
| Notes and References | p. 238 |
| Macroscopic Computer Simulation | p. 241 |
| Introduction | p. 241 |
| Continuity and Coordinate Systems | p. 243 |
| Macroscopic Flow Variables | p. 245 |
| Finite-Difference Methods | p. 246 |
| Finite-Element Methods | p. 248 |
| Smooth Particle Applied Mechanics [SPAM] | p. 251 |
| A SPAM Algorithm for Rayleigh-Bénard Convection | p. 255 |
| Initial Conditions | p. 255 |
| SPAM Evaluation of the Particle Densities | p. 257 |
| SPAM Evaluation of {∇u} and {∇T} | p. 258 |
| SPAM Evaluation of the Constitutive Relations | p. 260 |
| Applications of SPAM to Rayleigh-Bénard Flows | p. 262 |
| SPAM with and without a Core Potential | p. 266 |
| SPAM and Kinetic-Energy Fluctuations | p. 268 |
| Summary | p. 271 |
| Notes and References | p. 271 |
| Chaos, Lyapunov Instability, Fractals | p. 273 |
| Introduction | p. 273 |
| Continuum Mathematics | p. 277 |
| Chaos | p. 278 |
| The Spectrum of Lyapunov Exponents | p. 279 |
| Fractal Dimensions | p. 284 |
| A Simple Ergodic Fractal | p. 288 |
| Fractal Attractor-Repeller Pairs | p. 290 |
| A Global Second Law from Reversible Chaos | p. 292 |
| Coarse-Grained and Fine-Grained Entropy | p. 297 |
| Oscillators, Lyapunov Algorithms, Fractal Dimensions | p. 298 |
| A Thought-Provoking Oscillator Exercise | p. 298 |
| Doubly-Thermostated Oscillator; Lyapunov Spectra | p. 300 |
| Lyapunov Spectra from a Chaotic Double Pendulum | p. 310 |
| Coarse-Grained Galton Board Entropy | p. 312 |
| Color Conductivity | p. 313 |
| Summary | p. 316 |
| Notes and References | p. 317 |
| Resolving the Reversibility Paradox | p. 319 |
| Introduction | p. 319 |
| Irreversibility from Boltzmann's Kinetic Theory | p. 320 |
| Boltzmann's Equation Today | p. 325 |
| Gibbs' Statistical Mechanics | p. 327 |
| Jaynes' Information theory | p. 330 |
| Green and Kubo's Linear Response Theory | p. 332 |
| Thermomechanics | p. 334 |
| The Delay Times Separating Causes from their Effects | p. 336 |
| A Fluctuation Theorem | p. 337 |
| Are Initial Conditions Relevant? | p. 340 |
| Constrained Hamiltonian Ensembles | p. 343 |
| Anosov Systems and Sinai-Ruelle-Bowen Measures | p. 344 |
| Trajectories versus Distribution Functions | p. 347 |
| Are Maps Relevant? | p. 348 |
| Irreversibility ← Time-Reversible Motion Equations | p. 351 |
| Boltzmann-Equation Shockwave-Structure Algorithm | p. 353 |
| Summary | p. 359 |
| Notes and References | p. 361 |
| Afterword-a Research Perspective | p. 363 |
| Introduction | p. 363 |
| What do we Know? | p. 364 |
| Why Reversibility is Still a Problem | p. 366 |
| Change and Innovation | p. 369 |
| Role of Examples | p. 372 |
| Role of Chaos and Fractals | p. 374 |
| Role of Mathematics | p. 374 |
| Remaining Puzzles | p. 376 |
| Summary | p. 379 |
| Acknowledgments | p. 383 |
| Bibliography | p. 387 |
| Index | p. 397 |
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