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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 255 | - |
dc.citation.startPage | 248 | - |
dc.citation.title | CORROSION SCIENCE | - |
dc.citation.volume | 75 | - |
dc.contributor.author | Nam, Hyo On | - |
dc.contributor.author | Hwang, Il Soon | - |
dc.contributor.author | Lee, Kyu Hwan | - |
dc.contributor.author | Kim, Ji Hyun | - |
dc.date.accessioned | 2023-12-22T03:37:04Z | - |
dc.date.available | 2023-12-22T03:37:04Z | - |
dc.date.created | 2013-08-20 | - |
dc.date.issued | 2013-10 | - |
dc.description.abstract | In this study, the coefficients of diffusion of oxygen in nickel-based alloys are determined by atomistically modeling the oxygen diffusion process using a vacancy-mediated diffusion model. Density functional theory is used to calculate the energy of the system. The activation barrier energy for the diffusion of atomic oxygen in nickel is quantified by determining the most favorable path, i.e., the minimum-energy path, for diffusion. Phonon analysis is performed using the direct force-constant method. The calculated pre-exponential factor for the lattice diffusion of oxygen in nickel is 5.45×10-7m2/s and the activation energy is 158.65kJ/mol. | - |
dc.identifier.bibliographicCitation | CORROSION SCIENCE, v.75, pp.248 - 255 | - |
dc.identifier.doi | 10.1016/j.corsci.2013.06.006 | - |
dc.identifier.issn | 0010-938X | - |
dc.identifier.scopusid | 2-s2.0-84880928208 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/3900 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84880928208 | - |
dc.identifier.wosid | 000323469800026 | - |
dc.language | 영어 | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.title | A first-principles study of the diffusion of atomic oxygen in nickel | - |
dc.type | Article | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering | - |
dc.relation.journalResearchArea | Materials Science; Metallurgy & Metallurgical Engineering | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | A. Nickel | - |
dc.subject.keywordAuthor | B. Modelling studies | - |
dc.subject.keywordAuthor | C. Intergranular corrosion | - |
dc.subject.keywordAuthor | C. Internal oxidation | - |
dc.subject.keywordAuthor | C. Oxidation | - |
dc.subject.keywordAuthor | First principles | - |
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