Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study
DC Field | Value | Language |
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dc.contributor.author | Choi, Won-Mi | - |
dc.contributor.author | Kim, Jin-Soo | - |
dc.contributor.author | Ko, Won-Seok | - |
dc.contributor.author | Kim, Dong Geun | - |
dc.contributor.author | Jo, Yong Hee | - |
dc.contributor.author | Sohn, Seok Su | - |
dc.contributor.author | Lee, Sunghak | - |
dc.contributor.author | Lee, Byeong-Joo | - |
dc.date.accessioned | 2022-02-22T02:41:55Z | - |
dc.date.available | 2022-02-22T02:41:55Z | - |
dc.date.created | 2022-02-07 | - |
dc.date.issued | 2021-09 | - |
dc.identifier.issn | 0364-5916 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/136450 | - |
dc.description.abstract | In the high-entropy alloy (HEA) community, many researchers have been trying to improve the strength of the CoCrFeMnNi HEA by generating a transformation-induced-plasticity (TRIP) effect and/or maximizing the solid solution hardening effect. Adding vanadium (V) to the CoCrFeMnNi HEAs could be an effective way to improve strength, because vanadium stabilizes the body-centered cubic (bcc) phase and its atomic size is larger than Co, Cr, Fe, Mn, and Ni. To design high strength V-added HEAs, we investigated the effect of vanadium on the critical resolved shear stress (CRSS) by utilizing an atomistic simulation, proposing an empirical equation to estimate the relative effect of alloying elements on the CRSS. For this, we first developed the Co-Cr-Fe-Mn-Ni-V hexanary interatomic potential by newly developing the Cr-V, Fe-V, and Mn-V binary interatomic potentials. As a result, two novel V-added HEAs were designed and the designed HEAs show higher strength than the previously developed non-equiatomic CoCrFeMnNi HEAs, as predicted from the empirical equation. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.subject | METHOD INTERATOMIC POTENTIALS | - |
dc.subject | THERMODYNAMIC EVALUATION | - |
dc.subject | VANADIUM ADDITION | - |
dc.subject | SIGMA-PHASE | - |
dc.subject | FE-NI | - |
dc.subject | CR | - |
dc.subject | MN | - |
dc.subject | AL | - |
dc.subject | MICROSTRUCTURE | - |
dc.subject | TRANSITION | - |
dc.title | Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Sohn, Seok Su | - |
dc.identifier.doi | 10.1016/j.calphad.2021.102317 | - |
dc.identifier.scopusid | 2-s2.0-85110704645 | - |
dc.identifier.wosid | 000685310300002 | - |
dc.identifier.bibliographicCitation | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, v.74 | - |
dc.relation.isPartOf | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | - |
dc.citation.title | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | - |
dc.citation.volume | 74 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
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 | - |
dc.relation.journalWebOfScienceCategory | Thermodynamics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Metallurgy & Metallurgical Engineering | - |
dc.subject.keywordPlus | AL | - |
dc.subject.keywordPlus | CR | - |
dc.subject.keywordPlus | FE-NI | - |
dc.subject.keywordPlus | METHOD INTERATOMIC POTENTIALS | - |
dc.subject.keywordPlus | MICROSTRUCTURE | - |
dc.subject.keywordPlus | MN | - |
dc.subject.keywordPlus | SIGMA-PHASE | - |
dc.subject.keywordPlus | THERMODYNAMIC EVALUATION | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordPlus | VANADIUM ADDITION | - |
dc.subject.keywordAuthor | 2NN MEAM interatomic Potential | - |
dc.subject.keywordAuthor | CoCrFeMnNiV | - |
dc.subject.keywordAuthor | Computational alloy design | - |
dc.subject.keywordAuthor | High-entropy alloy | - |
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