Chemistry, Ames Laboratory
Journal or Book Title
Physical Review E
A theoretical approach to calculate the correlation functions in binary hard-sphere (HS) solid mixtures is developed. The method is motivated by the theory of correlations in one-component HS solids [Rascon et al., Phys. Rev. E 54, 1261 (1996)] and the Kirkwood-Buff theory for solutions. Combined with the fundamental measure density functional theory the approach provides correlation functions in good agreement with the numerical simulations results for the moderately asymmetric mixtures.
American Physical Society
Warshavsky, Vadim B. and Song, Xueyu, "Theoretical Studies of the Correlations in Moderately Asymmetric Binary Hard-Sphere Solid Mixtures" (2008). Ames Laboratory Publications. 377.