Effect of polydispersity on the relative stability of hard-sphere crystals.
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.
Yang
Mingcheng
M
Institute of Theoretical Physics, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China.
Ma
Hongru
H