Article
Fundamental-Measure Density Functional Theory Study of the Crystal-Melt Interface of the Hard Sphere System
Physical Review E
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
3-1-2006
DOI
10.1103/PhysRevE.73.031110
Abstract
Two versions of the fundamental measure density functionals together with a new interfacial density profile parametrization were used to study the hard-sphere crystal-melt interface in the framework of the fundamental measure density functional theory. The equilibrium interfacial density profiles and interfacial free energies were found as a result of minimization of grand canonical potential of system with respect to parameters of density profile. We found that the average interfacial free energy is about 0.78, which is in reasonable agreement with simulation results.
Copyright Owner
American Physical Society
Copyright Date
2006
Language
en
File Format
application/pdf
Citation Information
Vadim B. Warshavsky and Xueyu Song. "Fundamental-Measure Density Functional Theory Study of the Crystal-Melt Interface of the Hard Sphere System" Physical Review E Vol. 73 Iss. 3 (2006) p. 1 - 6 Available at: http://works.bepress.com/xueyu-song/32/
This article is from Physical Review E 73 (2006): 031110, doi:10.1103/PhysRevE.73.031110. Posted with permission.