Effect of polydispersity on the relative stability of hard-sphere crystals
Soft Condensed Matter
2009-11-13 v1 Statistical Mechanics
Abstract
By extending the nonequilibrium potential refinement algorithm and lattice switch method to the semigrand ensemble, the semigrand potentials of the fcc and hcp structures of polydisperse hard-sphere crystals are calculated with the bias sampling scheme. The result shows that the fcc structure is more stable than the hcp structure for polydisperse hard-sphere crystals below the terminal polydispersity.
Keywords
Cite
@article{arxiv.0807.0674,
title = {Effect of polydispersity on the relative stability of hard-sphere crystals},
author = {Mingcheng Yang and Hongru Ma},
journal= {arXiv preprint arXiv:0807.0674},
year = {2009}
}
Comments
17 pages, 5 figures