Effect of polydispersity on the relative stability of hard-sphere crystals.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 128 13 شماره
صفحات -
تاریخ انتشار 2008