TITLE

Modified nonequilibrium molecular dynamics for fluid flows with energy conservation

AUTHOR(S)
Tuckerman, Mark E.; Mundy, Christopher J.; Balasubramanian, Sundaram; Klein, Michael L.
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5615
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on the nonequilibrium molecular dynamics generated by the SLLOD algorithm for fluid flow. Existence of a conserved energy for the equations of motion; View that coupling each degree of freedom in the system to a Nose-Hoover chain thermostat as a means of efficiently generating the phase space equilibrium.
ACCESSION #
4303123

 

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