Directional dependence of the random kinetic energy in planar Couette flow
作者:
ANDRAS BARANYAI,
PETER T. CUMMINGS,
期刊:
Molecular Physics
(Taylor Available online 1997)
卷期:
Volume 90,
issue 1
页码: 35-41
ISSN:0026-8976
年代: 1997
DOI:10.1080/002689797172831
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
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 thex,yandzdirections. The simplicity is attractive, but computer simulation results are presented that demonstrate that this may not be the most sensible choice physically.
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