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DC Field | Value | Language |
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dc.citation.startPage | 104307 | - |
dc.citation.title | MATERIALS TODAY COMMUNICATIONS | - |
dc.citation.volume | 33 | - |
dc.contributor.author | Park, Soon-Dong | - |
dc.contributor.author | Kim, Daeyong | - |
dc.contributor.author | Kim, Sung Youb | - |
dc.date.accessioned | 2023-12-21T13:15:29Z | - |
dc.date.available | 2023-12-21T13:15:29Z | - |
dc.date.created | 2022-11-04 | - |
dc.date.issued | 2022-12 | - |
dc.description.abstract | Nickel/Copper (Ni/Cu) interfaces are applied in various fields such as manufacturing of thermoelectric modules and soldering applications. Therefore, the bond strength and mechanical properties of the Ni/Cu interfaces were investigated using spin-polarized density functional theory calculations. Compressed Cu slabs were utilized to model coherent Ni/Cu interfaces. The bond strength of the Ni/Cu interface was evaluated by calculating the work of separation for the (100), (110), and (111)-oriented interfaces. The mechanical properties of the most stable Ni/Cu interface configurations in each orientation were studied along the normal direction using rigid grain shift and homogeneous lattice extension methods. During homogeneous stretching of the Ni/Cu structures along the [100]-, [110]-, and [111]-directions, fracture was initiated in the Cu region because of its smaller work of separation than that of the interface. In the (110)-and (111)-oriented interfaces, the interlayer was separated by the addition of an oxygen (O) atom in the Ni/Cu interface. This oxidation results in a significant decrease in the work of separation at the interface. However, oxidation at the interface does not significantly change the me-chanical properties of the Ni/Cu structure, resulting in a fracture strain similar to that before the insertion of the O atom. | - |
dc.identifier.bibliographicCitation | MATERIALS TODAY COMMUNICATIONS, v.33, pp.104307 | - |
dc.identifier.doi | 10.1016/j.mtcomm.2022.104307 | - |
dc.identifier.issn | 2352-4928 | - |
dc.identifier.scopusid | 2-s2.0-85137114173 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/60003 | - |
dc.identifier.wosid | 000867516500004 | - |
dc.language | 영어 | - |
dc.publisher | ELSEVIER | - |
dc.title | Effect of oxidation on mechanical properties of Ni/Cu interface: A density functional theory study | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Ni | - |
dc.subject.keywordAuthor | Cu interface | - |
dc.subject.keywordAuthor | Work of separation | - |
dc.subject.keywordAuthor | Mechanical property | - |
dc.subject.keywordAuthor | Fracture strain | - |
dc.subject.keywordAuthor | Density functional theory calculation | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | SOLDER | - |
dc.subject.keywordPlus | CU | - |
dc.subject.keywordPlus | COPPER | - |
dc.subject.keywordPlus | METALS | - |
dc.subject.keywordPlus | MICROSTRUCTURE | - |
dc.subject.keywordPlus | 1ST-PRINCIPLES | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | GROWTH | - |
dc.subject.keywordPlus | ALLOY | - |
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