Title

Entropy Production and Volume Contraction in Thermostated Hamiltonian Dynamics

Published In

Physical Review E

Document Type

Citation

Publication Date

11-1-2017

Abstract

Patra et al. recently showed that the time-averaged rates of entropy production and phase-space volume contraction are equal for several different molecular dynamics methods used to simulate nonequilibrium steady states in Hamiltonian systems with thermostated temperature gradients. This equality is a plausible statistical analog of the second law of thermodynamics. Here we show that those two rates are identically equal in a wide class of methods in which the thermostat variables z are determined by ordinary differential equations of motion (i.e., methods of the Nosé-Hoover or integral feedback control type). This class of methods is defined by three relatively innocuous restrictions which are typically satisfied in methods of this type

DOI

10.1103/PhysRevE.96.052122

Persistent Identifier

http://archives.pdx.edu/ds/psu/23941

Share

COinS