Time-reversible deterministic thermostats

Wm G. Hoover, Kenichiro Aoki, Carol G. Hoover, Stephanie V. De Groot

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

Seven different time-reversible deterministic thermostats are considered here and applied to a simple particle-based nonequilibrium heat-flow problem. This approach is robust. Results for all these different thermostats agree rather well for system widths of ten particle diameters or more. The simplest of the thermostats is the Gauss-Nosé-Hoover thermostat, based on kinetic-energy control. Higher moments of the particle momenta can be controlled by extensions of this idea involving as many as three additional thermostat variables. Generalizations of the deterministic thermostats suited to simulating "stochastic" and "Brownian" dynamics are discussed here too.

Original languageEnglish
Pages (from-to)253-267
Number of pages15
JournalPhysica D: Nonlinear Phenomena
Volume187
Issue number1-4
DOIs
Publication statusPublished - 2004 Jan 1

Keywords

  • Heat flow
  • Molecular dynamics
  • Nonequilibrium
  • Thermostats

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Mathematical Physics
  • Condensed Matter Physics
  • Applied Mathematics

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