Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

3-2006

Journal or Book Title

Physical Review E

Volume

73

Issue

3

First Page

1

Last Page

6

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.

Comments

This article is from Physical Review E 73 (2006): 031110, doi:10.1103/PhysRevE.73.031110. Posted with permission.

Copyright Owner

American Physical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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