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Modified nonequilibrium molecular dynamics for fluid flows with energy conservation.
- 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.
- Subjects :
- *MOLECULAR dynamics
*COUPLING constants
Subjects
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