Time-reversible deterministic thermostats

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

Research output: Contribution to journalArticle

38 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

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Thermostats
Thermostat
thermostats
Brownian Dynamics
Heat Flow
Kinetic energy
heat transmission
Power control
Gauss
Non-equilibrium
Momentum
kinetic energy
Heat transfer
Moment
moments
momentum

Keywords

  • Heat flow
  • Molecular dynamics
  • Nonequilibrium
  • Thermostats

ASJC Scopus subject areas

  • Applied Mathematics
  • Statistical and Nonlinear Physics

Cite this

Time-reversible deterministic thermostats. / Hoover, Wm G.; Aoki, Kenichiro; Hoover, Carol G.; De Groot, Stephanie V.

In: Physica D: Nonlinear Phenomena, Vol. 187, No. 1-4, 01.01.2004, p. 253-267.

Research output: Contribution to journalArticle

Hoover, WG, Aoki, K, Hoover, CG & De Groot, SV 2004, 'Time-reversible deterministic thermostats', Physica D: Nonlinear Phenomena, vol. 187, no. 1-4, pp. 253-267. https://doi.org/10.1016/j.physd.2003.09.016
Hoover, Wm G. ; Aoki, Kenichiro ; Hoover, Carol G. ; De Groot, Stephanie V. / Time-reversible deterministic thermostats. In: Physica D: Nonlinear Phenomena. 2004 ; Vol. 187, No. 1-4. pp. 253-267.
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