Local Detailed Balance : A Microscopic Derivation

Thermal contact is the archetype of non-equilibrium processes driven by constant non-equilibrium constraints when the latter are enforced by reservoirs exchanging conserved microscopic quantities. At a mesoscopic scale only the energies of the macroscopic bodies are accessible together with the configurations of the contact system. We consider a class of models where the contact system, as well as macroscopic bodies, have a finite number of possible configurations. The global system with only discrete degrees of freedom has no microscopic Hamiltonian dynamics, but it is shown that, if the microscopic dynamics is assumed to be deterministic and ergodic and to conserve energy according to some specific pattern, and if the mesoscopic evolution of the global system is approximated by a Markov process as closely as possible, then the mesoscopic transition rates obey three constraints. In the limit where macroscopic bodies can be considered as reservoirs at thermodynamic equilibrium (but with different intensive parameters) the mesoscopic transition rates turn into transition rates for the contact system and the third constraint becomes local detailed balance ; the latter is generically expressed in terms of the microscopic exchange entropy variation, namely the opposite of the variation of the thermodynamic entropy of the reservoir involved in a given microscopic jump of the contact system configuration. For a finite-time evolution after contact has been switched on we derive a fluctuation relation for the joint probability of the heat amounts received from the various reservoirs. The generalization to systems exchanging energy, volume and matter with several reservoirs, with a possible conservative external force acting on the contact system, is given explicitly.Comment: 26 pages. arXiv admin note: substantial text overlap with arXiv:1302.453

On the nonequilibrium entropy of large and small systems

Thermodynamics makes definite predictions about the thermal behavior of macroscopic systems in and out of equilibrium. Statistical mechanics aims to derive this behavior from the dynamics and statistics of the atoms and molecules making up these systems. A key element in this derivation is the large number of microscopic degrees of freedom of macroscopic systems. Therefore, the extension of thermodynamic concepts, such as entropy, to small (nano) systems raises many questions. Here we shall reexamine various definitions of entropy for nonequilibrium systems, large and small. These include thermodynamic (hydrodynamic), Boltzmann, and Gibbs-Shannon entropies. We shall argue that, despite its common use, the last is not an appropriate physical entropy for such systems, either isolated or in contact with thermal reservoirs: physical entropies should depend on the microstate of the system, not on a subjective probability distribution. To square this point of view with experimental results of Bechhoefer we shall argue that the Gibbs-Shannon entropy of a nano particle in a thermal fluid should be interpreted as the Boltzmann entropy of a dilute gas of Brownian particles in the fluid

Heat Transport in Quantum Spin Chains: Stochastic Baths vs Quantum Trajectories

We discuss the problem of heat conduction in quantum spin chain models. To investigate this problem it is necessary to consider the finite open system connected to heat baths. We describe two different procedures to couple the system with the reservoirs: a model of stochastic heat baths and the quantum trajectories solution of the quantum master equation. The stochastic heat bath procedure operates on the pure wave function of the isolated system, so that it is locally and periodically collapsed to a quantum state consistent with a boundary nonequilibrium state. In contrast, the quantum trajectories procedure evaluates ensemble averages in terms of the reduced density matrix operator of the system. We apply these procedures to different models of quantum spin chains and numerically show their applicability to study the heat flow.Comment: 13 pages, 5 figures, submitted to European Physics Journal Special Topic

Transport Phenomena at a Critical Point -- Thermal Conduction in the Creutz Cellular Automaton --

Nature of energy transport around a critical point is studied in the Creutz cellular automaton. Fourier heat law is confirmed to hold in this model by a direct measurement of heat flow under a temperature gradient. The thermal conductivity is carefully investigated near the phase transition by the use of the Kubo formula. As the result, the thermal conductivity is found to take a finite value at the critical point contrary to some previous works. Equal-time correlation of the heat flow is also analyzed by a mean-field type approximation to investigate the temperature dependence of thermal conductivity. A variant of the Creutz cellular automaton called the Q2R is also investigated and similar results are obtained.Comment: 27 pages including 14figure

A Symmetry Property of Momentum Distribution Functions in the Nonequilibrium Steady State of Lattice Thermal Conduction

We study a symmetry property of momentum distribution functions in the steady state of heat conduction. When the equation of motion is symmetric under change of signs for all dynamical variables, the distribution function is also symmetric. This symmetry can be broken by introduction of an asymmetric term in the interaction potential or the on-site potential, or employing the thermal walls as heat reservoirs. We numerically find differences of behavior of the models with and without the on-site potential.Comment: 13 pages. submitted to JPS