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Surface entropy of liquids via a direct Monte Carlo approach: Application to liquid Si

Z. Q. Wang and D. Stroud
Phys. Rev. A 41, 4582(R) – Published 1 April 1990
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Abstract

We present two methods for a direct Monte Carlo evaluation of the surface entropy Ss of a liquid interacting by specified, volume-independent potentials. The first method is based on an application of the approach of Ferrenberg and Swendsen [Phys. Rev. Lett. 61, 2635 (1988); 63, 1195 (1989)] to Monte Carlo simulations at two different temperatures; it gives much more reliable results for Ss 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.

  • Received 16 January 1990

DOI:https://doi.org/10.1103/PhysRevA.41.4582

©1990 American Physical Society

Authors & Affiliations

Z. Q. Wang and D. Stroud

  • Department of Physics, Ohio State University, Columbus, Ohio 43210

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Vol. 41, Iss. 8 — April 1990

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