TITLE

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity

AUTHOR(S)
Muller-Plathe, Florian
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/8/1997, Vol. 106 Issue 14, p6082
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents a nonequilibrium dynamics method for calculating the thermal conductivity. Reversal of the method of the usual cause and effect approach; Compatibility with periodic boundary conditions; Conservation of total energy; Testing of the scheme on Lennard-Jones fluid.
ACCESSION #
4278648

 

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