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Article: The effect of surface relaxation and atomic vibration on the equilibrium shape of gold and copper crystallites

TitleThe effect of surface relaxation and atomic vibration on the equilibrium shape of gold and copper crystallites
Authors
KeywordsSurface free energy
Wulff construction
Atomistic simulation
Issue Date1994
Citation
Journal of Computer-Aided Materials Design, 1994, v. 1, n. 2, p. 187-197 How to Cite?
AbstractThe free energy of surfaces along the <011> pole in gold and copper is determined to assess the effect of surface relaxation and atomic vibration on the equilibrium crystal shape of gold and copper. The Wulff construction is performed on the γ-plots to determine the equilibrium shape of gold and copper crystallites at different temperatures. It is shown that surface relaxation and atomic vibration do not have any discernible effect on the equilibrium shape of EAM gold or copper crystallites. The equilibrium shape of EAM gold crystallites is formed entirely from {111} and {100} facets, while that of EAM copper shows small {110} facets in addition to the {111} and {100} facets. © 1994 ESCOM Science Publishers B.V.
Persistent Identifierhttp://hdl.handle.net/10722/303302
ISSN

 

DC FieldValueLanguage
dc.contributor.authorNajafabadi, R.-
dc.contributor.authorSrolovitz, D. J.-
dc.date.accessioned2021-09-15T08:25:02Z-
dc.date.available2021-09-15T08:25:02Z-
dc.date.issued1994-
dc.identifier.citationJournal of Computer-Aided Materials Design, 1994, v. 1, n. 2, p. 187-197-
dc.identifier.issn0928-1045-
dc.identifier.urihttp://hdl.handle.net/10722/303302-
dc.description.abstractThe free energy of surfaces along the <011> pole in gold and copper is determined to assess the effect of surface relaxation and atomic vibration on the equilibrium crystal shape of gold and copper. The Wulff construction is performed on the γ-plots to determine the equilibrium shape of gold and copper crystallites at different temperatures. It is shown that surface relaxation and atomic vibration do not have any discernible effect on the equilibrium shape of EAM gold or copper crystallites. The equilibrium shape of EAM gold crystallites is formed entirely from {111} and {100} facets, while that of EAM copper shows small {110} facets in addition to the {111} and {100} facets. © 1994 ESCOM Science Publishers B.V.-
dc.languageeng-
dc.relation.ispartofJournal of Computer-Aided Materials Design-
dc.subjectSurface free energy-
dc.subjectWulff construction-
dc.subjectAtomistic simulation-
dc.titleThe effect of surface relaxation and atomic vibration on the equilibrium shape of gold and copper crystallites-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1007/BF00708709-
dc.identifier.scopuseid_2-s2.0-34249773689-
dc.identifier.volume1-
dc.identifier.issue2-
dc.identifier.spage187-
dc.identifier.epage197-
dc.identifier.eissn1573-4900-

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