A comparison of crystal-melt interfacial free energies using different Al potentials

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)3565-3569
Journal / PublicationJournal of Non-Crystalline Solids
Volume353
Issue number32-40
Online published13 Jul 2007
Publication statusPublished - 15 Oct 2007
Externally publishedYes

Abstract

We have calculated the crystal-melt interfacial stiffnesses using simulations with three different interatomic potentials for Al, and from these derived the anisotropic crystal-melt interfacial free energies. We find that there is a strong dependence of the results on the potential, and that this dependence cannot be explained by the usual Turnbull relation between the interfacial free energy and the latent heat. The potentials which produce liquid structures in closer agreement with experiments give free energies in good agreement with nucleation data.

Research Area(s)

  • Crystal growth, Electrical and electronic properties, Fluctuations, Liquid alloys and liquid metals, Modeling and simulation, Molecular dynamics, Neutron diffraction/scattering, Nucleation, Surfaces and interfaces

Citation Format(s)

A comparison of crystal-melt interfacial free energies using different Al potentials. / Morris, James R.; Mendelev, M. I.; Srolovitz, D. J.
In: Journal of Non-Crystalline Solids, Vol. 353, No. 32-40, 15.10.2007, p. 3565-3569.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review