期刊
JOURNAL OF NON-CRYSTALLINE SOLIDS
卷 353, 期 32-40, 页码 3565-3569出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jnoncrysol.2007.05.116
关键词
liquid alloys and liquid metals; crystal growth; nucleation; neutron diffraction/scattering; electrical and electronic properties; modeling and; simulation; molecular dynamics; fluctuations; surfaces and interfaces
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. (c) 2007 Elsevier B.V. All rights reserved.
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