Numerical calculation of the combinatorial entropy of partially ordered ice
Statistical Mechanics
2009-11-13 v2 Materials Science
Chemical Physics
Abstract
Using a one-parameter case as an example, we demonstrate that multicanonical simulations allow for accurate estimates of the residual combinatorial entropy of partially ordered ice. For the considered case corrections to an (approximate) analytical formula are found to be small, never exceeding 0.5%. The method allows one as well to calculate combinatorial entropies for many other systems.
Keywords
Cite
@article{arxiv.0707.1725,
title = {Numerical calculation of the combinatorial entropy of partially ordered ice},
author = {Bernd A. Berg and Wei Yang},
journal= {arXiv preprint arXiv:0707.1725},
year = {2009}
}
Comments
Extended version: 7 pages, 10 figures (v1 is letter-type version)