Back to Search Start Over

Modified nonequilibrium molecular dynamics for fluid flows with energy conservation.

Authors :
Tuckerman, Mark E.
Mundy, Christopher J.
Balasubramanian, Sundaram
Klein, Michael L.
Source :
Journal of Chemical Physics. 4/1/1997, Vol. 106 Issue 13, p5615. 7p. 3 Graphs.
Publication Year :
1997

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.

Details

Language :
English
ISSN :
00219606
Volume :
106
Issue :
13
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4303123
Full Text :
https://doi.org/10.1063/1.473582