Comment on {open_quotes}Modified nonequilibrium molecular dynamics for fluid flows with energy conservation{close_quotes} [J. Chem. Phys. {bold 106}, 5615 (1997)]

Journal Article · Sun Mar 01 04:00:00 EST 1998 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.475843· OSTI ID:580020

Evans, D J; Searles, D J ^[1]; Hoover, W G; Hoover, C G ^[2]; Holian, B L ^[3]; Posch, H A ^[4]; Morriss, G P ^[5]

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1. Research School of Chemistry, Australian National University, Canberra, ACT, 2601 (Australia)
2. LLNL UC Davis/Livermore, Livermore, California 94551-7808 (United States)
3. Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
4. University of Vienna, ViennaA-1090 (Austria)
5. 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, Journal Name: Journal of Chemical Physics Journal Issue: 10 Vol. 108; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ENERGY CONSERVATION
FLUCTUATIONS
FLUID FLOW
MOLECULAR DYNAMICS METHOD
STATISTICAL MECHANICS