DC Field | Value | Language |
---|---|---|
dc.contributor.author | JIN, SOO KIM | - |
dc.contributor.author | DONGHYUK, SEOL | - |
dc.contributor.author | JOONHO, JI | - |
dc.contributor.author | SUNNY, HYOSUN JANG | - |
dc.contributor.author | Kim, Y. | - |
dc.contributor.author | Lee, B.-J. | - |
dc.date.accessioned | 2019-04-17T01:50:04Z | - |
dc.date.available | 2019-04-17T01:50:04Z | - |
dc.date.created | 2017-12-21 | - |
dc.date.issued | 2017-12 | - |
dc.identifier.issn | 0364-5916 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/98615 | - |
dc.description.abstract | Interatomic potentials for Pt-M (M = Al, Co, Cu, Mo, Ni, Ti, V) binary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The parameters of pure Mo have also been newly developed to solve a problem in the previous 2NN MEAM potential in which the sigma and ��-Mn structures become more stable than the bcc structure. The potentials reproduce various materials properties of alloys (structural, thermodynamic and order-disorder transition temperature) in reasonable agreements with relevant experimental data and other calculations. The applicability of the developed potentials to atomistic investigations for the shape and atomic configuration of Pt bimetallic nanoparticles is demonstrated. ? 2017 Elsevier Ltd | - |
dc.language | English | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.relation.isPartOf | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | - |
dc.title | Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pt-M (M = Al, Co, Cu, Mo, Ni, Ti, V) binary systems | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/j.calphad.2017.09.005 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, v.59, pp.131 - 141 | - |
dc.identifier.wosid | 000417659900013 | - |
dc.citation.endPage | 141 | - |
dc.citation.startPage | 131 | - |
dc.citation.title | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | - |
dc.citation.volume | 59 | - |
dc.contributor.affiliatedAuthor | JIN, SOO KIM | - |
dc.contributor.affiliatedAuthor | DONGHYUK, SEOL | - |
dc.contributor.affiliatedAuthor | JOONHO, JI | - |
dc.contributor.affiliatedAuthor | SUNNY, HYOSUN JANG | - |
dc.contributor.affiliatedAuthor | Kim, Y. | - |
dc.contributor.affiliatedAuthor | Lee, B.-J. | - |
dc.identifier.scopusid | 2-s2.0-85030785267 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | DIRECT SYNTHESIS CALORIMETRY | - |
dc.subject.keywordPlus | TIGHT-BINDING POTENTIALS | - |
dc.subject.keywordPlus | MONTE-CARLO SIMULATIONS | - |
dc.subject.keywordPlus | TRANSITION-METALS | - |
dc.subject.keywordPlus | THERMODYNAMIC ASSESSMENT | - |
dc.subject.keywordPlus | PLATINUM ALLOYS | - |
dc.subject.keywordPlus | SURFACE SEGREGATION | - |
dc.subject.keywordPlus | PHASE-DIAGRAM | - |
dc.subject.keywordPlus | ELEMENTS | - |
dc.subject.keywordPlus | TEMPERATURE | - |
dc.subject.keywordAuthor | Interatomic potentials | - |
dc.subject.keywordAuthor | 2NN MEAM | - |
dc.subject.keywordAuthor | Pt alloys | - |
dc.relation.journalWebOfScienceCategory | Thermodynamics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Metallurgy & Metallurgical Engineering | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Thermodynamics | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Metallurgy & Metallurgical Engineering | - |
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