Theoretical Studies of the Correlations in Moderately Asymmetric Binary Hard-Sphere Solid Mixtures
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2008-05-01
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Ames National LaboratoryChemistry
Abstract
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.
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This article is from Physical Review E 77 (2008): 051106, doi:10.1103/PhysRevE.77.051106. Posted with permission.
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Tue Jan 01 00:00:00 UTC 2008