Comment on {open_quotes}Modified nonequilibrium molecular dynamics for fluid flows with energy conservation{close_quotes} [J. Chem. Phys. {bold 106}, 5615 (1997)]
- Research School of Chemistry, Australian National University, Canberra, ACT, 2601 (Australia)
- LLNL UC Davis/Livermore, Livermore, California 94551-7808 (United States)
- Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
- University of Vienna, ViennaA-1090 (Austria)
- University of New South Wales, Sydney, NSW, 2052 (Australia)
In their recent paper and the associated Response to this Comment, Tuckerman {ital et al.} dispute the form of the Liouville equation, as proposed by Liouville in 1838. They go on to introduce a definition of the entropy which is at variance with Boltzmann{close_quote}s H-function and with Gibbs{close_quote} definition of entropy. They argue that their {open_quotes}entropy{close_quotes} is a constant of the motion, equal to its initial equilibrium value regardless of the imposition of external fields. We argue that the analysis of Tuckerman {ital et al.} is incorrect and that issues raised by Tuckerman {ital et al.} are not at all new but have already been correctly incorporated into nonequilibrium statistical mechanics. {copyright} {ital 1998 American Institute of Physics.}
- OSTI ID:
- 580020
- Journal Information:
- Journal of Chemical Physics, Vol. 108, Issue 10; Other Information: PBD: Mar 1998
- Country of Publication:
- United States
- Language:
- English
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