Entropy production and volume contraction in thermostated Hamiltonian dynamics

John D. Ramshaw
Phys. Rev. E 96, 052122 – Published 15 November 2017

Abstract

Patra et al. [Int. J. Bifurcat. Chaos 26, 1650089 (2016)] 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.

  • Received 30 August 2017

DOI:https://doi.org/10.1103/PhysRevE.96.052122

©2017 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & Thermodynamics

Authors & Affiliations

John D. Ramshaw

  • Department of Physics, Portland State University, Portland, Oregon 97207, USA

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Vol. 96, Iss. 5 — November 2017

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