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1 | (32) |
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1.1 Entropy and the Second Law |
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1 | (3) |
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1.2 Time Dependent Systems |
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4 | (3) |
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1.2.1 The Second Law is Timeless |
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5 | (1) |
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5 | (2) |
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1.3 Nature of Probability |
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7 | (7) |
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8 | (1) |
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9 | (2) |
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11 | (1) |
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1.3.4 Determination of Randomness |
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12 | (2) |
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1.4 States, Entropy, and Probability |
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14 | (12) |
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1.4.1 Macrostates and Microstates |
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14 | (1) |
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1.4.2 Weight and Probability |
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15 | (2) |
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17 | (3) |
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1.4.4 Transitions and the Second Entropy |
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20 | (5) |
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25 | (1) |
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26 | (7) |
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1.5.1 Equilibrium Systems |
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27 | (2) |
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1.5.2 Non-Equilibrium Steady State |
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29 | (4) |
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33 | (28) |
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33 | (5) |
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2.2 Exponential Decay in Markovian Systems |
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38 | (4) |
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42 | (3) |
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2.4 Results for Pure Parity Systems |
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45 | (6) |
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2.4.1 Onsager Regression Hypothesis and Reciprocal Relations |
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45 | (1) |
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2.4.2 Green-Kubo Expression |
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46 | (1) |
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2.4.3 Physical Interpretation of the Second Entropy |
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47 | (1) |
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48 | (1) |
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48 | (2) |
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2.4.6 Non-Reversibility of the Trajectory |
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50 | (1) |
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50 | (1) |
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2.5 Fluctuations of Mixed Time Parity |
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51 | (10) |
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2.5.1 Second Entropy and Time Correlation Functions |
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51 | (3) |
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2.5.2 Small Time Expansion for the General Case |
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54 | (4) |
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2.5.3 Magnetic Fields and Coriolis Forces |
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58 | (3) |
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61 | (36) |
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3.1 Gaussian, Markov Processes |
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63 | (1) |
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3.2 Free Brownian Particle |
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64 | (2) |
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3.3 Pinned Brownian Particle |
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66 | (2) |
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68 | (1) |
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3.5 Time Correlation Functions |
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69 | (2) |
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3.6 Non-Equilibrium Probability Distribution |
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71 | (12) |
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71 | (1) |
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3.6.2 Uniformly Moving Trap |
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72 | (4) |
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3.6.3 Mixed Parity Formulation of the Moving Trap |
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76 | (7) |
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3.7 Entropy, Probability, and their Evolution |
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83 | (14) |
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3.7.1 Time Evolution of the Entropy and Probability |
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83 | (4) |
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3.7.2 Compressibility of the Equations of Motion |
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87 | (1) |
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3.7.3 The Fokker-Planck Equation |
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88 | (3) |
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3.7.4 Generalised Equipartition Theorem |
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91 | (2) |
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3.7.5 Liouville's Theorem |
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93 | (4) |
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97 | (24) |
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97 | (2) |
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4.2 First Energy Moment and First Temperature |
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99 | (2) |
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101 | (2) |
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4.4 Thermal Conductivity and Energy Correlations |
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103 | (1) |
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104 | (6) |
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105 | (2) |
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107 | (3) |
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110 | (1) |
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4.7 Heat and Current Flow |
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111 | (10) |
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5 Second Entropy for Fluctuating Hydrodynamics |
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121 | (24) |
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122 | (6) |
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5.1.1 Densities, Velocities, and Chemical Reactions |
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122 | (1) |
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123 | (2) |
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125 | (2) |
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127 | (1) |
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5.2 Entropy Density and its Rate of Change |
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128 | (5) |
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5.2.1 Sub-system Dissipation |
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131 | (2) |
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133 | (1) |
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133 | (6) |
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5.3.1 Variational Principle |
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137 | (1) |
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137 | (2) |
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5.4 Navier-Stokes and Energy Equations |
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139 | (6) |
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6 Heat Convection and Non-Equilibrium Phase Transitions |
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145 | (28) |
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6.1 Hydrodynamic Equations of Convection |
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146 | (4) |
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6.1.1 Boussinesq Approximation |
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146 | (1) |
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147 | (1) |
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148 | (2) |
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6.2 Total First Entropy of Convection |
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150 | (4) |
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6.3 Algorithm for Ideal Straight Rolls |
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154 | (3) |
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6.3.1 Hydrodynamic Equations |
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154 | (1) |
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154 | (3) |
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157 | (1) |
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6.4 Algorithm for the Cross Roll State |
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157 | (4) |
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6.4.1 Hydrodynamic Equations and Conditions |
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157 | (2) |
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159 | (2) |
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6.5 Algorithm for Convective Transitions |
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161 | (2) |
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6.6 Convection Theory and Experiment |
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163 | (10) |
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7 Equilibrium Statistical Mechanics |
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173 | (60) |
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7.1 Hamilton's Equations of Motion |
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174 | (2) |
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7.1.1 Classical versus Quantum Statistical Mechanics |
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176 | (1) |
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7.2 Probability Density of an Isolated System |
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176 | (10) |
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177 | (1) |
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7.2.2 Time, Volume, and Surface Averages |
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177 | (3) |
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180 | (2) |
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7.2.4 Trajectory Uniformity |
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182 | (2) |
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7.2.5 Partition Function and Entropy |
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184 | (2) |
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7.2.6 Internal Entropy of Phase Space Points |
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186 | (1) |
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7.3 Canonical Equilibrium System |
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186 | (9) |
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7.3.1 Maxwell-Boltzmann Distribution |
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186 | (2) |
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7.3.2 Helmholtz Free Energy |
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188 | (4) |
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7.3.3 Probability Distribution for Other Systems |
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192 | (2) |
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7.3.4 Equipartition Theorem |
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194 | (1) |
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7.4 Transition Probability |
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195 | (15) |
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7.4.1 Stochastic Equations of Motion |
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195 | (3) |
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198 | (5) |
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7.4.3 Mixed Parity Derivation of the Second Entropy and the Equations of Motion |
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203 | (2) |
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7.4.4 Irreversibility and Dissipation |
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205 | (2) |
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7.4.5 The Fokker-Planck Equation and Stationarity of the Equilibrium Probability |
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207 | (3) |
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7.5 Evolution in Phase Space |
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210 | (8) |
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7.5.1 Various Phase Functions |
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210 | (4) |
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214 | (2) |
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7.5.3 Liouville's Theorem |
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216 | (2) |
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218 | (8) |
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219 | (1) |
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7.6.2 Canonical Equilibrium System |
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220 | (6) |
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7.7 Trajectory Probability and Time Correlation Functions |
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226 | (7) |
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7.7.1 Trajectory Probability |
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226 | (1) |
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7.7.2 Equilibrium Averages |
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227 | (1) |
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7.7.3 Time Correlation Functions |
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227 | (2) |
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229 | (4) |
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8 Non-Equilibrium Statistical Mechanics |
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233 | (62) |
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8.1 General Considerations |
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233 | (2) |
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235 | (5) |
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235 | (2) |
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8.2.2 Reduction to the Point Entropy |
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237 | (2) |
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8.2.3 Fluctuation Form for the Reservoir Entropy |
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239 | (1) |
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8.3 Transitions and Motion in Phase Space |
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240 | (22) |
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8.3.1 Foundations for Time Dependent Weight |
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240 | (4) |
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8.3.2 Fluctuation Form of the Second Entropy |
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244 | (3) |
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8.3.3 Time Correlation Function |
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247 | (2) |
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8.3.4 Stochastic, Dissipative Equations of Motion |
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249 | (9) |
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8.3.5 Transition Probability and Fokker-Planck Equation |
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258 | (2) |
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8.3.6 Most Likely Force with Constraints |
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260 | (2) |
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8.4 Changes in Entropy and Time Derivatives |
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262 | (13) |
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262 | (4) |
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8.4.2 Irreversibility and Dissipation |
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266 | (2) |
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8.4.3 Various Time Derivatives |
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268 | (5) |
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8.4.4 Steady State System |
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273 | (2) |
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8.5 Odd Projection of the Dynamic Reservoir Entropy |
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275 | (5) |
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8.6 Path Entropy and Transitions |
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280 | (9) |
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280 | (7) |
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8.6.2 Fluctuation and Work Theorem |
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287 | (2) |
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8.7 Path Entropy for Mechanical Work |
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289 | (6) |
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8.7.1 Evolution of the Reservoir Entropy and Transitions |
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289 | (3) |
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8.7.2 Transition Theorems |
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292 | (3) |
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9 Statistical Mechanics of Steady Flow: Heat and Shear |
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295 | (34) |
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9.1 Thermodynamics of Steady Heat Flow |
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295 | (8) |
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9.1.1 Canonical Equilibrium System |
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295 | (1) |
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9.1.2 Fourier's Law of Heat Conduction |
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296 | (3) |
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9.1.3 Second Entropy for Heat Flow |
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299 | (4) |
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9.2 Phase Space Probability Density |
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303 | (5) |
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9.2.1 Explicit Hamiltonian and First Energy Moment |
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303 | (3) |
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9.2.2 Reservoir Entropy and Probability Density |
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306 | (2) |
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9.3 Most Likely Trajectory |
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308 | (2) |
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9.4 Equipartition Theorem for Heat Flow |
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310 | (3) |
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9.5 Green-Kubo Expressions for the Thermal Conductivity |
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313 | (7) |
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313 | (2) |
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315 | (3) |
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9.5.3 Relation with Odd Projection |
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318 | (2) |
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320 | (9) |
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9.6.1 Second Entropy for Shear Flow |
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322 | (1) |
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9.6.2 Phase Space Probability Density |
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323 | (3) |
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9.6.3 Most Likely Trajectory |
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326 | (1) |
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9.6.4 Equipartition Theorem |
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327 | (2) |
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10 Generalised Langevin Equation |
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329 | (60) |
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10.1 Free Brownian Particle |
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331 | (11) |
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10.1.1 Time Correlation Functions |
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332 | (3) |
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10.1.2 Mixed Parity Digression |
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335 | (2) |
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10.1.3 Diffusion Constant |
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337 | (1) |
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10.1.4 Trajectory Entropy and Correlation |
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338 | (4) |
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10.2 Langevin and Smoluchowski Equations |
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342 | (1) |
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343 | (13) |
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10.3.1 Most Likely Velocity |
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343 | (4) |
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10.3.2 Alternative Derivation |
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347 | (1) |
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10.3.3 Most Likely Position |
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348 | (1) |
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10.3.4 Stochastic Dissipative Equations of Motion |
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348 | (3) |
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10.3.5 Generalised Langevin Equation for Velocity |
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351 | (2) |
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10.3.6 Fluctuation Dissipation Theorem |
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353 | (1) |
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10.3.7 Weiner-Khintchine Theorem |
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354 | (1) |
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10.3.8 Exponentially Decaying Memory Function |
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355 | (1) |
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10.4 Adiabatic Linear Response Theory |
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356 | (2) |
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10.5 Numerical Results for a Brownian Particle in a Moving Trap |
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358 | (8) |
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359 | (1) |
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10.5.2 Smoluchowski Theory |
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360 | (1) |
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10.5.3 Computer Simulations |
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360 | (1) |
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10.5.4 Perturbation Algorithm |
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361 | (1) |
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10.5.5 Relative Amplitude and Phase Lag |
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361 | (3) |
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10.5.6 Stochastic Trajectory |
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364 | (2) |
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10.6 Generalised Langevin Equation in the Case of Mixed Parity |
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366 | (12) |
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10.6.1 Equilibrium System |
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366 | (5) |
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10.6.2 Regression of Fluctuation |
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371 | (2) |
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10.6.3 Time Dependent Perturbation |
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373 | (4) |
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10.6.4 Generalised Langevin Equation |
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377 | (1) |
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10.7 Projector Operator Formalism |
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378 | (5) |
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10.8 Harmonic Oscillator Model for the Memory Function |
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383 | (6) |
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10.8.1 Generalised Langevin Equation |
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384 | (3) |
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10.8.2 Modified Random Force |
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387 | (1) |
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388 | (1) |
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11 Non-Equilibrium Computer Simulation Algorithms |
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389 | (62) |
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11.1 Stochastic Molecular Dynamics |
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391 | (18) |
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11.1.1 Equilibrium Systems |
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391 | (4) |
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11.1.2 Mechanical Non-Equilibrium System |
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395 | (1) |
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11.1.3 Driven Brownian Motion |
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396 | (4) |
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400 | (9) |
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11.2 Non-Equilibrium Monte Carlo |
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409 | (26) |
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11.2.1 Equilibrium Systems |
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409 | (3) |
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11.2.2 Non-Equilibrium Systems |
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412 | (5) |
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11.2.3 Driven Brownian Motion |
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417 | (12) |
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429 | (6) |
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435 | (16) |
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11.3.1 Elementary Brownian Dynamics |
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437 | (3) |
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11.3.2 Perturbative Brownian Dynamics |
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440 | (5) |
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11.3.3 Stochastic Calculus |
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445 | (6) |
References |
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451 | (4) |
Index |
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455 | |