| Preface |
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vii | |
| Preface to the First Edition |
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xi | |
| Glossary of Technical Terms |
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xxi | |
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1 Time Reversibility, Computer Simulation, Algorithms, Chaos |
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1 | (38) |
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1.1 Microscopic Reversibility; Macroscopic Irreversibility |
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1 | (5) |
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1.2 Time Reversibility of Irreversible Processes |
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6 | (2) |
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1.3 Classical Microscopic and Macroscopic Simulation |
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8 | (2) |
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1.4 Continuity, Information, and Bit Reversibility |
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10 | (1) |
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1.5 Instability and Chaos |
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11 | (2) |
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1.6 Simple Explanations of Complex Phenomena |
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13 | (2) |
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1.7 The Paradox: Irreversibility from Reversible Dynamics |
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15 | (1) |
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1.8 Algorithm: Fourth-Order Runge-Kutta Integrator |
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16 | (4) |
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20 | (16) |
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1.9.1 Equilibrium Baker Map |
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21 | (4) |
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1.9.2 Equilibrium Galton Board |
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25 | (4) |
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1.9.3 Equilibrium Hookean Pendulum |
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29 | (3) |
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1.9.4 Nose-Hoover Oscillator with a Temperature Gradient |
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32 | (4) |
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36 | (3) |
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1.10.1 Notes and References |
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37 | (2) |
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2 Time-Reversibility in Physics and Computation |
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39 | (42) |
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39 | (2) |
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41 | (3) |
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2.3 Levesque and Verlet's Bit-Reversible Algorithm |
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44 | (2) |
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2.4 Lagrangian and Hamiltonian Mechanics |
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46 | (3) |
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2.5 Liouville's Incompressible Theorem |
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49 | (1) |
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2.6 What Is Macroscopic Thermodynamics? |
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50 | (2) |
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2.7 First and Second Laws of Thermodynamics |
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52 | (2) |
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2.8 Temperature, Zeroth Law, Reservoirs, Thermostats |
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54 | (4) |
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2.9 Irreversibility from Stochastic Irreversible Equations |
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58 | (2) |
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2.10 Irreversibility from Time-Reversible Equations? |
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60 | (1) |
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2.11 An Algorithm Implementing Bit-Reversible Dynamics |
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61 | (6) |
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67 | (10) |
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2.12.1 Time-Reversible Dissipative Map |
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68 | (5) |
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2.12.2 A Smooth-Potential Galton Board |
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73 | (4) |
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77 | (4) |
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2.13.1 Notes and References |
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78 | (3) |
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3 Gibbs' Statistical Mechanics |
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81 | (32) |
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81 | (2) |
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3.2 Formal Structure of Gibbs' Statistical Mechanics |
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83 | (3) |
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3.3 Initial Conditions, Boundary Conditions, Ergodicity |
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86 | (3) |
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3.4 From Hamiltonian Dynamics to Gibbs' Probability |
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89 | (1) |
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3.5 From Gibbs' Probability to Thermodynamics |
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90 | (2) |
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3.6 Pressure and Energy from Gibbs' Canonical Ensemble |
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92 | (1) |
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3.7 Gibbs' Entropy versus Boltzmann's Entropy |
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93 | (3) |
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3.8 Number-Dependence and Thermodynamic Fluctuations |
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96 | (1) |
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3.9 Green and Kubo's Linear-Response Theory |
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97 | (2) |
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3.10 An Algorithm for Local Smooth-Particle Averages |
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99 | (4) |
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103 | (8) |
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3.11.1 Quasiharmonic Thermodynamics |
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104 | (2) |
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3.11.2 Hard-Disk and Hard-Sphere Thermodynamics |
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106 | (2) |
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3.11.3 Time-Reversible Confined Free Expansion |
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108 | (3) |
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111 | (2) |
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3.12.1 Notes and References |
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112 | (1) |
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4 Irreversibility in Real Life |
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113 | (50) |
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113 | (3) |
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4.2 Phenomenology --- the Linear Dissipative Laws |
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116 | (1) |
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4.3 Microscopic Basis of the Irreversible Linear Laws |
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117 | (2) |
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4.4 Solving the Linear Macroscopic Equations |
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119 | (1) |
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4.5 Nonequilibrium Entropy Changes |
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120 | (3) |
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4.6 Fluctuations and Nonequilibrium States |
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123 | (1) |
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4.7 Deviations from the Phenomenological Linear Laws |
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124 | (2) |
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4.8 Causes of Irreversibility a la Boltzmann and Lyapunov |
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126 | (2) |
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4.9 Rayleigh-Benard Algorithm with Atomistic Flow |
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128 | (7) |
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4.10 Rayleigh-Benard Algorithm for a Continuum |
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135 | (5) |
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4.11 Three Rayleigh-Benard Example Problems |
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140 | (19) |
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4.11.1 Rayleigh-Benard Flow via Lorenz' Attractor |
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142 | (2) |
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4.11.2 Rayleigh-Benard Flow with Continuum Mechanics |
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144 | (10) |
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4.11.3 Rayleigh-Benard Flow with Molecular Dynamics |
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154 | (5) |
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159 | (4) |
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4.12.1 Notes and References |
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160 | (3) |
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5 Microscopic Computer Simulation |
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163 | (36) |
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163 | (1) |
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5.2 Integrating the Motion Equations |
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164 | (1) |
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5.3 Interpretation of Results |
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165 | (3) |
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5.4 Control of a Falling Particle |
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168 | (8) |
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5.5 Second Law of Thermodynamics |
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176 | (1) |
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5.6 Simulating Shear Flow and Heat Flow |
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177 | (4) |
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181 | (3) |
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5.8 Algorithm for Periodic Shear Flow with Doll's Tensor |
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184 | (4) |
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188 | (8) |
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5.9.1 Isokinetic Nonequilibrium Galton Board |
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189 | (3) |
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5.9.2 Heat-Conducting One-Dimensional Oscillator |
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192 | (3) |
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5.9.3 Many-Body Heat Flow |
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195 | (1) |
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196 | (3) |
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5.10.1 Notes and References |
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197 | (2) |
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199 | (42) |
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199 | (2) |
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6.2 Equation of State Information from Shockwaves |
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201 | (2) |
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6.3 Shockwave Conditions for Molecular Dynamics |
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203 | (3) |
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206 | (8) |
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6.5 Thermodynamic Variables |
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214 | (1) |
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6.6 Shockwave Profiles from Continuum Mechanics |
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215 | (14) |
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6.6.1 Shockwave Profile with Shear Viscosity |
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217 | (3) |
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6.6.2 Shockwave Profile with Viscosity and Conductivity |
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220 | (2) |
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6.6.3 Shockwave Profiles with Tensor Temperatures |
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222 | (1) |
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6.6.4 Flow Algorithm with Maxwell-Cattaneo Time Delays |
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223 | (6) |
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6.7 Comparing Model Profiles with Molecular Dynamics |
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229 | (3) |
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6.8 Lyapunov Instability in Strong Shockwaves |
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232 | (6) |
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238 | (3) |
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6.9.1 Notes and References |
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238 | (3) |
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7 Macroscopic Computer Simulation |
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241 | (32) |
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241 | (2) |
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7.2 Continuity and Coordinate Systems |
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243 | (2) |
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7.3 Macroscopic Flow Variables |
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245 | (1) |
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7.4 Finite-Difference Methods |
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246 | (2) |
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7.5 Finite-Element Methods |
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248 | (3) |
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7.6 Smooth Particle Applied Mechanics [ SPAM] |
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251 | (4) |
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7.7 A SPAM Algorithm for Rayleigh-Benard Convection |
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255 | (7) |
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255 | (2) |
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7.7.2 SPAM Evaluation of the Particle Densities |
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257 | (1) |
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7.7.3 SPAM Evaluation of {u} and {T} |
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258 | (2) |
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7.7.4 SPAM Evaluation of the Constitutive Relations |
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260 | (2) |
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7.8 Applications of SPAM to Rayleigh-Benard Flows |
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262 | (9) |
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7.8.1 SPAM with and without a Core Potential |
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266 | (2) |
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7.8.2 SPAM and Kinetic-Energy Fluctuations |
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268 | (3) |
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271 | (2) |
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7.9.1 Notes and References |
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271 | (2) |
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8 Chaos, Lyapunov Instability, Fractals |
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273 | (46) |
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273 | (4) |
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8.2 Continuum Mathematics |
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277 | (1) |
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278 | (1) |
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8.4 The Spectrum of Lyapunov Exponents |
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279 | (5) |
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284 | (4) |
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8.6 A Simple Ergodic Fractal |
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288 | (2) |
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8.7 Fractal Attractor-Repeller Pairs |
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290 | (2) |
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8.8 A Global Second Law from Reversible Chaos |
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292 | (5) |
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8.9 Coarse-Grained and Fine-Grained Entropy |
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297 | (1) |
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8.10 Oscillators, Lyapunov Algorithms, Fractal Dimensions |
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298 | (18) |
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8.10.1 A Thought-Provoking Oscillator Exercise |
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298 | (2) |
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8.10.2 Doubly-Thermostated Oscillator; Lyapunov Spectra |
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300 | (10) |
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8.10.3 Lyapunov Spectra for a Chaotic Double Pendulum |
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310 | (2) |
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8.10.4 Coarse-Grained Galton Board Entropy |
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312 | (1) |
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8.10.5 Color Conductivity |
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313 | (3) |
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316 | (3) |
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8.11.1 Notes and References |
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317 | (2) |
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9 Resolving the Reversibility Paradox |
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319 | (44) |
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319 | (1) |
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9.2 Irreversibility from Boltzmann's Kinetic Theory |
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320 | (5) |
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9.3 Boltzmann's Equation Today |
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325 | (2) |
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9.4 Gibbs' Statistical Mechanics |
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327 | (3) |
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9.5 Jaynes' Information Theory |
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330 | (2) |
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9.6 Green and Kubo's Linear Response Theory |
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332 | (2) |
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334 | (2) |
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9.8 The Delay Times Separating Causes from their Effects |
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336 | (1) |
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9.9 A Fluctuation Theorem |
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337 | (3) |
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9.10 Are Initial Conditions Relevant? |
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340 | (3) |
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9.11 Constrained Hamiltonian Ensembles |
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343 | (1) |
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9.12 Anosov Systems and Sinai-Ruelle-Bowen Measures |
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344 | (3) |
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9.13 Trajectories versus Distribution Functions |
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347 | (1) |
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348 | (3) |
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9.15 Irreversibility ← Time-Reversible Motion Equations |
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351 | (2) |
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9.16 Boltzmann-Equation Shockwave-Structure Algorithm |
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353 | (6) |
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359 | (4) |
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9.17.1 Notes and References |
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361 | (2) |
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10 Afterword---a Research Perspective |
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363 | (24) |
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363 | (1) |
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364 | (2) |
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10.3 Why Reversibility is Still a Problem |
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366 | (3) |
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10.4 Change and Innovation |
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369 | (3) |
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372 | (2) |
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10.6 Role of Chaos and Fractals |
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374 | (1) |
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10.7 Role of Mathematics 01 |
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374 | (2) |
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376 | (3) |
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379 | (4) |
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383 | (4) |
| Bibliography |
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387 | (10) |
| Index |
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397 | |