Directional dependence of the random kinetic energy in planar Couette flow

A. Baranyai, Peter T. Cummings

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Non-equilibrium steady state systems do not obey the equipartition theorem in that the distribution of the random kinetic energy among the three directions is not independent of the mechanism which removes the dissipative heat. This becomes important beyond the linear regime because system properties will be functions of the thermostatting mechanism as well. For homogeneous non-equilibrium molecular dynamics simulations, in most of the cases, the simplest synthetic thermostat is used in which, analogously to equilibrium algorithms, the friction coefficient is identical in the x, y and z directions. The simplicity is attractive, but computer simulation results are presented that demonstrate that this may not be the most sensible choice physically.

Original languageEnglish
Pages (from-to)35-41
Number of pages7
JournalMolecular Physics
Volume90
Issue number1
Publication statusPublished - Jan 1997

Fingerprint

Couette flow
Kinetic energy
kinetic energy
equipartition theorem
Thermostats
thermostats
Friction
Computer simulation
Molecular Dynamics Simulation
Computer Simulation
coefficient of friction
Molecular dynamics
Hot Temperature
computerized simulation
molecular dynamics
heat
simulation
Direction compound

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Directional dependence of the random kinetic energy in planar Couette flow. / Baranyai, A.; Cummings, Peter T.

In: Molecular Physics, Vol. 90, No. 1, 01.1997, p. 35-41.

Research output: Contribution to journalArticle

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