TITLE

Local free energy calculations in simulations

AUTHOR(S)
Vlot, Margot J.; van der Eerden, Jan P.
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/15/1997, Vol. 106 Issue 7, p2771
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Examines the application of two independent methods to determine chemical potentials locally. Overlapping distribution method of Shing and Gubbins; Thermodynamic integration from an Einstein crystal to the same Monte Carlo simulation; Consistency checking of chemical equilibrium between surface and bulk.
ACCESSION #
4270545

 

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