arXiv subjects

Denis J. Evans

Publications and source records attributed to Denis J. Evans.

25 records · Page 2Linked to original sources

arXiv2000

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.

cond-mat.stat-mech↗

arXiv1999

Note on the Kaplan-Yorke dimension and linear transport coefficients

A number of relations between the Kaplan-Yorke dimension, phase space contraction, transport coefficients and the maximal Lyapunov exponents are given for dissipative thermostatted systems, subject to a small external field in a nonequilibrium stationary state. A condition for the extensivity of phase space dimension reduction is given. A new expression for the transport coefficients in terms of the Kaplan-Yorke dimension is derived. Alternatively, the Kaplan-Yorke dimension for a dissipative macroscopic system can be expressed in terms of the transport coefficients of the system. The agreement with computer simulations for an atomic fluid at small shear rates is very good.

cond-mat.stat-mech↗

arXiv1999

Solitary waves in nonequilibrium molecular dynamics simulations of heat flow in one-dimensional lattices

We study the use of the Evans Nonequilibrium Molecular Dynamics (NEMD) heat flow algorithm for the computation of the heat conductivity in one-dimensional lattices. For the well-known Fermi-Pasta-Ulam (FPU) model, it is shown that when the heat field strength is greater than a certain critical value (which depends on the system size) solitons can be generated in molecular dynamics simulations starting from random initial conditions. Such solitons are stable and travel with supersonic speeds. For smaller heat fields, no solitons are generated in the molecular dynamics simulations; the heat conductivity obtained via the NEMD algorithm increases monotonically with the size of the system.

chao-dyn↗

arXiv1999

Microscopic expressions for the thermodynamic temperature

We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and the Molecular Dynamics (MD) ensemble, and test them with a short-ranged potential MD simulation.

cond-mat.stat-mech↗

arXiv1999

The Fluctuation Theorem for Stochastic Systems

The Fluctuation Theorem describes the probability ratio of observing trajectories that satisfy or violate the second law of thermodynamics. It has been proved in a number of different ways for thermostatted deterministic nonequilibrium systems. In the present paper we show that the Fluctuation Theorem is also valid for a class of stochastic nonequilibrium systems. The Theorem is therefore not reliant on the reversibility or the determinism of the underlying dynamics. Numerical tests verify the theoretical result.

cond-mat.stat-mech↗

arXiv1999

On the Asymptotic Convergence of the Transient and Steady State Fluctuation Theorems

Non-equilibrium molecular dynamics simulations are used to demonstrate the asymptotic convergence of the Transient and Steady State forms of the Fluctuation Theorem. In the case of planar Poiseuille flow, we find that the Transient form, valid for all times, converges to the Steady State form on microscopic time scales. Further, we find that the time of convergence for the two Theorems coincides with the time required for satisfaction of the asymptotic Steady State Fluctuation Theorem. PACS numbers: 05.20.-y, 05.70.Ln, 47.10.+g, 47.40.-n

cond-mat.stat-mech↗

arXiv1999

A Local Fluctuation Theorem

The Fluctuation Theorem (FT) gives an analytic expression for the probability, in a nonequilibrium system of finite size observed for a finite time, that the dissipative flux will flow in the reverse direction to that required by the Second Law of Thermodynamics. In the present letter a Local version of the Fluctuation Theorem (LFT), is derived. We find that in the case of planar Poiseuille flow of a Newtonian fluid between thermostatted walls, non-equilibrium molecular dynamics simulation results support LFT.

cond-mat.stat-mech↗