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dc.contributor.authorKim, Young-Kwang-
dc.contributor.authorKim, Hong-Kyu-
dc.contributor.authorJung, Woo-Sang-
dc.contributor.authorLee, Byeong-Joo-
dc.date.accessioned2024-01-20T04:02:16Z-
dc.date.available2024-01-20T04:02:16Z-
dc.date.created2021-09-04-
dc.date.issued2016-06-15-
dc.identifier.issn0927-0256-
dc.identifier.urihttps://pubs.kist.re.kr/handle/201004/123966-
dc.description.abstractAn interatomic potential for the Ti-Al binary system has been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. This potential describes fundamental materials properties (structural, thermodynamic, elastic, defect, deformation and thermal properties) of Ti-Al alloys in good agreements with experimental or first-principles data. The transferability and applicability of the present potential to atomic-scale investigations for Ni-based superalloys or Ti-Al based alloys are demonstrated. (C) 2016 Elsevier B.V. All rights reserved.-
dc.languageEnglish-
dc.publisherELSEVIER SCIENCE BV-
dc.subjectCRYSTAL ELASTIC-CONSTANTS-
dc.subjectSTACKING-FAULT ENERGIES-
dc.subjectPHASE-STABILITY-
dc.subject1ST-PRINCIPLES CALCULATIONS-
dc.subjectINTERATOMIC POTENTIALS-
dc.subjectELECTRONIC-STRUCTURE-
dc.subjectTI3AL-
dc.subjectINTERMETALLICS-
dc.subjectALLOYS-
dc.subjectFRACTURE-
dc.titleAtomistic modeling of the Ti-Al binary system-
dc.typeArticle-
dc.identifier.doi10.1016/j.commatsci.2016.03.038-
dc.description.journalClass1-
dc.identifier.bibliographicCitationCOMPUTATIONAL MATERIALS SCIENCE, v.119, pp.1 - 8-
dc.citation.titleCOMPUTATIONAL MATERIALS SCIENCE-
dc.citation.volume119-
dc.citation.startPage1-
dc.citation.endPage8-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.identifier.wosid000375070800001-
dc.identifier.scopusid2-s2.0-84962659779-
dc.relation.journalWebOfScienceCategoryMaterials Science, Multidisciplinary-
dc.relation.journalResearchAreaMaterials Science-
dc.type.docTypeArticle-
dc.subject.keywordPlusCRYSTAL ELASTIC-CONSTANTS-
dc.subject.keywordPlusSTACKING-FAULT ENERGIES-
dc.subject.keywordPlusPHASE-STABILITY-
dc.subject.keywordPlus1ST-PRINCIPLES CALCULATIONS-
dc.subject.keywordPlusINTERATOMIC POTENTIALS-
dc.subject.keywordPlusELECTRONIC-STRUCTURE-
dc.subject.keywordPlusTI3AL-
dc.subject.keywordPlusINTERMETALLICS-
dc.subject.keywordPlusALLOYS-
dc.subject.keywordPlusFRACTURE-
dc.subject.keywordAuthorModified embedded-atom method-
dc.subject.keywordAuthorAtomistic simulation-
dc.subject.keywordAuthorNi-based superalloys-
dc.subject.keywordAuthorTi-based alloys-
dc.subject.keywordAuthorTi-Al binary system-
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