Table of contents for Statistical mechanics of nonequilibrium liquids / Denis J. Evans, Gary Morriss.


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1 Introduction                                                     1
2 Linear irreversible thermodynamics                              11
2.1 The conservation equations                                 11
2.2 Entropy production                                         17
2.3 Curie's theorem                                           20
2.4 Non-markovian constitutive relations: viscoelasticity     27
3 The microscopic connection                                      33
3.1 Classical mechanics                                       33
3.2 Phase space                                               44
3.3 Distribution functions and the liouville equation         46
3.4 Ergodicity, mixing, and Lyapunov exponents                53
3.5 Equilibrium time-correlation functions                    59
3.6 Operator identities                                       62
3.7 The Irving-Kirkwood procedure                             66
3.8 Instantaneous microscopic representation of fluxes        68
3.9 Microscopic representation of the temperature             77
4 The Green-kubo relations                                        79
4.1 The Langevin equation                                     79
4.2 Mori-Zwanzig theory                                       83
4.3 Shear viscosity                                           87
4.4 Green-Kubo relations for Navier-Stokes transport coefficients  92
5 Linear-response theory                                          95
5.1 Adiabatic linear response theory                          95
5.2 Thermostats and equilibrium distribution functions       100
5.3 Isothermal linear response theory                         111
5.4 The equivalence of thermostatted linear responses        116
6 Computer simulation algorithms                                 119
6.1 Introduction                                              119
6.2 Self diffusion                                           125
6.3 Couette flow and shear viscosity                         130
6.4 Thermostatting shear flows                               142
6.5 Elongational flows                                        146
6.6 Thermal conductivity                                     150
6.7 Norton ensemble methods                                  152
6.8 Constant-pressure ensembles                              156
6.9 Constant stress ensembles                                160
7 Nonlinear response theory                                      167
7.1 Kubo's form for the nonlinear response                    167
7.2 Kawasaki distribution function                           169
7.3 The transient time-correlation function formalism        173
7.4 Trajectory mappings                                       177
7.5 Differential response functions                          185
7.6 The van Kampen objection to linear response theory        193
7.7 Time-dependent response theory                           200
8 Dynamical stability                                            209
8.1 Introduction                                             209
8.2 Chaotic dynamical systems                                211
8.3 The characterization of chaos                            221
8.4 Chaos in planar couette flow                             230
8.5 Conjugate pairing of Lyapunov exponents                  238
8.6 Periodic orbit measures                                  244
8.7 Positivity of transport coefficients                     255
9 Nonequilibrium fluctuations                                    259
9.1 Introduction                                             259
9.2 The specific heat                                        260
9.3 The compressibility and isobaric specific heat           265
9.4 The fluctuation theorem                                  267
9.5 Gallavotti and Cohen fluctuation theorem                 274
9.6 The Jarzynski equality                                   277
9.7 The Crooks relation                                      280
9.8 Experimental verification                                282
10 Thermodynamics of steady states                              283
10.1 The thermodynamic temperature                          283
10.2 Green's expansion for the entropy                      292
10.3 Prospects                                              299



Library of Congress subject headings for this publication: Liquids Computer simulation, Nonequilibrium statistical mechanics