Effect of polydispersity on the relative stability of hard-sphere crystals
arXiv:0807.0674 · doi:10.1063/1.2884195
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.
arXiv comment17 pages, 5 figures
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