DC Field | Value | Language |
---|---|---|
dc.contributor.author | Oh, Sang-Ho | - |
dc.contributor.author | Kim, Jin-Soo | - |
dc.contributor.author | Park, Chang Seo | - |
dc.contributor.author | Lee, Byeong-Joo | - |
dc.date.accessioned | 2021-06-13T02:50:08Z | - |
dc.date.available | 2021-06-13T02:50:08Z | - |
dc.date.created | 2021-05-24 | - |
dc.date.issued | 2021-06-15 | - |
dc.identifier.issn | 0927-0256 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/106673 | - |
dc.description.abstract | Interatomic potentials for the Mo-M (M = Al, Co, Cr, Fe, Ni, Ti) binary alloy systems have been newly developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The new interatomic potentials reproduce structural and thermodynamic properties of binary alloys reasonably well. They can be utilized to generate interatomic potentials for Pt-Mo-M multicomponent alloy systems. The present work extends the coverage of the atomistic simulations using 2NN MEAM interatomic potentials into Pt-based multicomponent systems, and the design of efficient noble metal catalysts using atomistic simulations is now enabled with a greater variety of alloying elements. | - |
dc.language | English | - |
dc.publisher | Elsevier BV | - |
dc.relation.isPartOf | COMPUTATIONAL MATERIALS SCIENCE | - |
dc.subject | STRUCTURAL STABILITY | - |
dc.subject | H-2/CO MIXTURES | - |
dc.subject | THERMODYNAMIC EVALUATION | - |
dc.subject | MECHANICAL-PROPERTIES | - |
dc.subject | PHASE-EQUILIBRIA | - |
dc.subject | SIGMA-PHASE | - |
dc.subject | ELECTROOXIDATION | - |
dc.subject | ELECTROCATALYSTS | - |
dc.subject | TRANSITION | - |
dc.subject | TOLERANCE | - |
dc.title | Second nearest-neighbor modified embedded-atom method interatomic potentials for the Mo-M (M = Al, Co, Cr, Fe, Ni, Ti) binary alloy systems | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/j.commatsci.2021.110473 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | COMPUTATIONAL MATERIALS SCIENCE, v.194, pp.110473 | - |
dc.identifier.wosid | 000663131200005 | - |
dc.citation.startPage | 110473 | - |
dc.citation.title | COMPUTATIONAL MATERIALS SCIENCE | - |
dc.citation.volume | 194 | - |
dc.contributor.affiliatedAuthor | Oh, Sang-Ho | - |
dc.contributor.affiliatedAuthor | Kim, Jin-Soo | - |
dc.contributor.affiliatedAuthor | Park, Chang Seo | - |
dc.contributor.affiliatedAuthor | Lee, Byeong-Joo | - |
dc.identifier.scopusid | 2-s2.0-85103689444 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | STRUCTURAL STABILITY | - |
dc.subject.keywordPlus | H-2/CO MIXTURES | - |
dc.subject.keywordPlus | THERMODYNAMIC EVALUATION | - |
dc.subject.keywordPlus | MECHANICAL-PROPERTIES | - |
dc.subject.keywordPlus | PHASE-EQUILIBRIA | - |
dc.subject.keywordPlus | SIGMA-PHASE | - |
dc.subject.keywordPlus | ELECTROOXIDATION | - |
dc.subject.keywordPlus | ELECTROCATALYSTS | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordPlus | TOLERANCE | - |
dc.subject.keywordAuthor | 2NN MEAM | - |
dc.subject.keywordAuthor | Interatomic potential | - |
dc.subject.keywordAuthor | Mo-Al | - |
dc.subject.keywordAuthor | Mo-Co | - |
dc.subject.keywordAuthor | Mo-Cr | - |
dc.subject.keywordAuthor | Mo-Fe | - |
dc.subject.keywordAuthor | Mo-Ni | - |
dc.subject.keywordAuthor | Mo-Ti | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
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