Abstract
We present two methods for a direct Monte Carlo evaluation of the surface entropy 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 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