The Fluctuation Theorem and Green-Kubo Relations

Green-Kubo and Einstein expressions for the transport coefficients of a fluid in a nonequilibrium steady state can be derived using the Fluctuation Theorem and by assuming the probability distribution of the time-averaged dissipative flux is Gaussian. These expressions are consistent with those obtained using linear response theory and are valid in the linear regime. It is shown that these expressions are however, not valid in the nonlinear regime where the fluid is driven far from equilibrium. We advance an argument for why these expression are only valid in the linear response, zero field limit.Comment: 32 pages, inc. 6 figures Discussion and notation improve

Ensemble Dependence of the Transient Fluctuation Theorem

The Fluctuation Theorem gives an analytical expression for the probability of observing second law violating dynamical fluctuations, in nonequilibrium systems. At equilibrium statistical mechanical fluctuations are known to be ensemble dependent. In this paper we generalise the Transient and Steady State Fluctuation Theorems to various nonequilibrium dynamical ensembles. The Transient and Steady State Fluctuation Theorem for an isokinetic ensemble of isokinetic trajectories is tested using nonequilibrium molecular dynamics simulations of shear flow.Comment: 16 pages, 1 table, 4 figures; presentation of generalised formulae and discussion clarifie

On the Application of the Gallavotti-Cohen Fluctuation Relation to Thermostatted Steady States Near Equilibrium

The fluctuation relation of the Gallavotti-Cohen Fluctuation Theorem (GCFT) concerns fluctuations in the phase space compression rate of dissipative, reversible dynamical systems. It has been proven for Anosov systems, but it is expected to apply more generally. This raises the question of which non-Anosov systems satisfy the fluctuation relation. We analyze time dependent fluctuations in the phase space compression rate of a class of N-particle systems that are at equilibrium or in near equilibrium steady states. This class does not include Anosov systems or isoenergetic systems, however, it includes most steady state systems considered in molecular dynamics simulations of realistic systems. We argue that the fluctuations of the phase space compression rate of these systems at or near equilibrium do not satisfy the fluctuation relation of the GCFT, although the discrepancies become somewhat smaller as the systems move further from equilibrium. In contrast, similar fluctuation relations for an appropriately defined dissipation function appear to hold both near and far from equilibrium.Comment: 46 pages, for publication in PR

Generalised Fluctuation Formula

We develop a General Fluctuation Formula for phase variables that are odd under time reversal. Simulations are used to verify the new formula.Comment: 10 pages, 5 figures, submitted to Procedings of the 3rd Tohwa University International Conference of Statistical Physics, Nov 8-12, 1999 (AIP Conferences Series

Ensemble Dependence of the Transient Fluctuation Theorem

The Fluctuation Theorem gives an analytical expression for the probability of observing second law violating dynamical fluctuations, in nonequilibrium systems. At equilibrium statistical mechanical fluctuations are known to be ensemble dependent. In this paper we generalise the Transient and Steady State Fluctuation Theorems to various nonequilibrium dynamical ensembles. The Transient and Steady State Fluctuation Theorem for an isokinetic ensemble of isokinetic trajectories is tested using nonequilibrium molecular dynamics simulations of shear flow.We would like to thank the Australian Research Council for the support of this project

The fluctuation theorem and Lyapunov weights

The Fluctuation Theorem (FT) is a generalisation of the Second Law of Thermodynamics that applies to small systems observed for short times. For thermostatted systems it gives the probability ratio that entropy will be consumed rather than produced. In this paper we derive the Transient and Steady State Fluctuation Theorems using Lyapunov weights rather than the usual Gibbs weights. At long times the Fluctuation Theorems so derived are identical to those derived using the more standard Gibbs weights.Comment: 26 pages; to appear in Physica

The Fluctuation Theorem and Green-Kubo Relations

Green-Kubo and Einstein expressions for the transport coefficients of a fluid in a nonequilibrium steady state can be derived using the Fluctuation Theorem and by assuming the probability distribution of the time-averaged dissipative flux is Gaussian. These expressions are consistent with those obtained using linear response theory and are valid in the linear regime. It is shown that these expressions are however, not valid in the nonlinear regime where the fluid is driven far from equilibrium. We advance an argument for why these expressions are only valid in the linear response, zero field limit

The Glass Transition and the Jarzynski Equality

A simple model featuring a double well potential is used to represent a liquid that is quenched from an ergodic state into a history dependent glassy state. Issues surrounding the application of the Jarzynski Equality to glass formation are investigated. We demonstrate that the Jarzynski Equality gives the free energy difference between the initial state and the state we would obtain if the glass relaxed to true thermodynamic equilibrium. We derive new variations of the Jarzynski Equality which are relevant to the history dependent glassy state rather than the underlying equilibrium state. It is shown how to compute the free energy differences for the nonequilibrium history dependent glassy state such that it remains consistent with the standard expression for the entropy and with the second law inequality.Comment: 16 pages, 5 figure

Fluctuation Theorem for heat flow between thermal reservoirs

We consider thermal conduction in a classical many body system which is in contact with two isothermal reservoirs maintained at different temperatures. We calculate from first principles, the probability that when observed for a finite time, the time averaged heat flux flows in the reverse direction to that required by the Second Law of Thermodynamics. Analytical expressions are given for the probability of observing Second Law violating dynamical fluctuations in this system. These expressions constitute an application of the Fluctuation Theorem to the problem of thermal conduction. We prove that the probability of observing fluctuations in the heat flux which violate the Second Law is related to time averaged fluctuations in the irreversible entropy production. Our expressions are tested using nonequilibrium molecular dynamics simulations of heat flow between thermostatted walls