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Surface entropy of liquids via a direct Monte Carlo approach - Application to liquid SiTwo methods are presented for a direct Monte Carlo evaluation of the surface entropy S(s) of a liquid interacting by specified, volume-independent potentials. The first method is based on an application of the approach of Ferrenberg and Swendsen (1988, 1989) to Monte Carlo simulations at two different temperatures; it gives much more reliable results for S(s) in liquid Si than previous calculations based on numerical differentiation. The second method expresses the surface entropy directly as a canonical average at fixed temperature.
Document ID
19900044620
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Wang, Z. Q.
(Ohio State Univ. Columbus, OH, United States)
Stroud, D.
(Ohio State University Columbus, United States)
Date Acquired
August 14, 2013
Publication Date
April 15, 1990
Publication Information
Publication: Physical Review A - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 3rd Series
Volume: 41
ISSN: 0556-2791
Subject Category
Thermodynamics And Statistical Physics
Accession Number
90A31675
Funding Number(s)
CONTRACT_GRANT: NAG3-999
Distribution Limits
Public
Copyright
Other

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