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Laplace-transform technique for deriving thermodynamic equations from the classical microcanonical ensembleA direct and convenient method is presented for deriving expressions which equate any thermodynamic state function to averages of specific dynamical functions and their fluctuations over the classical microcanonical distribution. Specific expressions are obtained for a variety of thermodynamic quantities. The effect of various entropy definitions on the results are assessed, and the latter are compared to previous work in the literature. The derived formulas are applied to the analysis of molecular-dynamics computer simulations.
Document ID
19860030282
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Pearson, E. M.
(Stanford Univ. CA, United States)
Halicioglu, T.
(Stanford Univ. CA, United States)
Tiller, W. A.
(Stanford University CA, United States)
Date Acquired
August 12, 2013
Publication Date
November 1, 1985
Publication Information
Publication: Physical Review A - General Physics, 3rd Series
Volume: 32
ISSN: 0556-2791
Subject Category
Thermodynamics And Statistical Physics
Accession Number
86A15020
Funding Number(s)
CONTRACT_GRANT: MDA903-83-K-0041
CONTRACT_GRANT: NCC2-297
Distribution Limits
Public
Copyright
Other

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