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dc.contributor.author정우상-
dc.contributor.author김영광-
dc.contributor.author김홍규-
dc.contributor.author이병주-
dc.date.accessioned2021-06-09T04:18:29Z-
dc.date.available2021-06-09T04:18:29Z-
dc.date.issued2017-11-
dc.identifier.citationVOL 139-233-
dc.identifier.issn0927-0256-
dc.identifier.other49338-
dc.identifier.urihttps://pubs.kist.re.kr/handle/201004/66220-
dc.description.abstractInteratomic potentials for the Ni-Ti and Ni-Al-Ti systems have been developed based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) formalism. The Ni-Ti binary potential reproduces fundamental materials properties (structural, elastic, thermodynamic, and thermal stability) of alloy systems in reasonable agreement with experiments, first-principles calculations and thermodynamic calculations. Atomistic simulations using the Ni-Al-Ti ternary potential validate that the potential can be applied successfully to atomic-scale investigations to clarify the effects of titanium on important materials phenomena (site preference in γ′, γ-γ′ phase transition, and segregation on grain boundaries) in Ni-Al-Ti ternary superalloys.-
dc.publisherComputational materials science-
dc.subjectAtomistic simulation-
dc.subjectNi-Al-Ti superalloys-
dc.subjectModified embedded-atom method-
dc.titleDevelopment and application of Ni-Ti and Ni-Al-Ti 2NN-MEAM interatomic potentials for Ni-base superalloys-
dc.typeArticle-
dc.relation.page225233-
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