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College of Engineering(공과대학)School of Mechanical and Aerospace Engineering(기계항공공학부)Dept. of Mechanical Engineering(기계공학과)ME-Journal Papers(저널논문)

Improved modified embedded-atom method potentials for gold and silicon

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dc.contributor.authorRyu, Seunghwako
dc.contributor.authorWeinberger, Christopher R.ko
dc.contributor.authorBaskes, Michael I.ko
dc.contributor.authorCai, Weiko
dc.date.accessioned2013-03-12T16:53:50Z-
dc.date.available2013-03-12T16:53:50Z-
dc.date.created2013-02-21-
dc.date.created2013-02-21-
dc.date.issued2009-10-
dc.identifier.citationMODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, v.17, no.7-
dc.identifier.issn0965-0393-
dc.identifier.urihttp://hdl.handle.net/10203/102923-
dc.description.abstractThe modified embedded-atom method interatomic potentials for pure gold and pure silicon are improved in their melting point and latent heat predictions, by modifying the multi-body screening function and the equation of state function. The fitting of the new parameters requires rapid calculations of melting point and latent heat, which are enabled by efficient free-energy methods. The results provide the basis for constructing a cross-potential that will be fitted to the binary gold-silicon phase diagram.-
dc.languageEnglish-
dc.publisherIOP PUBLISHING LTD-
dc.subjectSURFACE FREE-ENERGIES-
dc.subjectMOLECULAR-DYNAMICS-
dc.subjectMETALS-
dc.subjectRECONSTRUCTION-
dc.subjectSEGREGATION-
dc.subjectDIFFRACTION-
dc.subjectSIMULATION-
dc.subjectNANOWIRES-
dc.subjectGERMANIUM-
dc.subjectPHASES-
dc.titleImproved modified embedded-atom method potentials for gold and silicon-
dc.typeArticle-
dc.identifier.wosid000270055000009-
dc.identifier.scopusid2-s2.0-70350648022-
dc.type.rimsART-
dc.citation.volume17-
dc.citation.issue7-
dc.citation.publicationnameMODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING-
dc.identifier.doi10.1088/0965-0393/17/7/075008-
dc.contributor.localauthorRyu, Seunghwa-
dc.contributor.nonIdAuthorWeinberger, Christopher R.-
dc.contributor.nonIdAuthorBaskes, Michael I.-
dc.contributor.nonIdAuthorCai, Wei-
dc.type.journalArticleArticle-
dc.subject.keywordPlusSURFACE FREE-ENERGIES-
dc.subject.keywordPlusMOLECULAR-DYNAMICS-
dc.subject.keywordPlusMETALS-
dc.subject.keywordPlusRECONSTRUCTION-
dc.subject.keywordPlusSEGREGATION-
dc.subject.keywordPlusDIFFRACTION-
dc.subject.keywordPlusSIMULATION-
dc.subject.keywordPlusNANOWIRES-
dc.subject.keywordPlusGERMANIUM-
dc.subject.keywordPlusPHASES-
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