| Effect of polydispersity on the relative stability of hard-sphere crystals (2008) | |||||||||
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.. Comment: 17 pages, 5 figures | |||||||||
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