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Article: Crystal-melt interfacial free energies in metals: fcc versus bcc

TitleCrystal-melt interfacial free energies in metals: fcc versus bcc
Authors
Issue Date2004
Citation
Physical Review B - Condensed Matter and Materials Physics, 2004, v. 69, n. 2, article no. 020102 How to Cite?
AbstractThe structural dependence of crystal-melt interfacial free energies (γ) is investigated for fcc and bcc solids through molecular-dynamics calculations employing interatomic potentials for Fe. We compute ≈30-35% lower values of γ for the bcc structure, and find that our results cannot be explained simply in terms of differences in latent heats (L) or densities (ρ) for bulk bcc and fcc phases. We observe a strong structural dependence of the Turnbull coefficient α = γ/Lρ2/3, and find a trend towards lower crystalline anisotropies of γ for the bcc structure relative to fcc. © 2004 The American Physical Society.
Persistent Identifierhttp://hdl.handle.net/10722/303231
ISSN
2014 Impact Factor: 3.736
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorSun, D. Y.-
dc.contributor.authorAsta, M.-
dc.contributor.authorHoyt, J. J.-
dc.contributor.authorMendelev, M. I.-
dc.contributor.authorSrolovitz, D. J.-
dc.date.accessioned2021-09-15T08:24:53Z-
dc.date.available2021-09-15T08:24:53Z-
dc.date.issued2004-
dc.identifier.citationPhysical Review B - Condensed Matter and Materials Physics, 2004, v. 69, n. 2, article no. 020102-
dc.identifier.issn1098-0121-
dc.identifier.urihttp://hdl.handle.net/10722/303231-
dc.description.abstractThe structural dependence of crystal-melt interfacial free energies (γ) is investigated for fcc and bcc solids through molecular-dynamics calculations employing interatomic potentials for Fe. We compute ≈30-35% lower values of γ for the bcc structure, and find that our results cannot be explained simply in terms of differences in latent heats (L) or densities (ρ) for bulk bcc and fcc phases. We observe a strong structural dependence of the Turnbull coefficient α = γ/Lρ2/3, and find a trend towards lower crystalline anisotropies of γ for the bcc structure relative to fcc. © 2004 The American Physical Society.-
dc.languageeng-
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physics-
dc.titleCrystal-melt interfacial free energies in metals: fcc versus bcc-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1103/PhysRevB.69.020102-
dc.identifier.scopuseid_2-s2.0-1442263677-
dc.identifier.volume69-
dc.identifier.issue2-
dc.identifier.spagearticle no. 020102-
dc.identifier.epagearticle no. 020102-
dc.identifier.eissn1550-235X-
dc.identifier.isiWOS:000188947300002-

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