Embedded atom method-based geometry optimization aspects of body-centered cubic metals

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dc.authorid0000-0002-4733-7861
dc.contributor.authorGüler, Melek
dc.contributor.authorGüler, Emre
dc.date.accessioned2019-05-13T09:08:07Z
dc.date.available2019-05-13T09:08:07Z
dc.date.issued2013
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü
dc.description.abstractWe present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis - Sinclair potentials. After the optimization, we determine their typical elastic constants, bulk modulus, shear modulus, Young's modulus, Poisson's ratios, elastic wave velocities and cohesive energies. Additionally, we perform a benchmark between the experiments and the available density functional theory results. In general, our results show a good consistency with previous findings on the elastic and cohesive energy properties of the considered metals. © 2013 Chinese Physical Society and IOP Publishing Ltd.
dc.identifier.citationGüler, M., & Güler, E. (2013). Embedded atom method-based geometry optimization aspects of body-centered cubic metals. Chinese Physics Letters, 30(5), 056201.
dc.identifier.doi10.1088/0256-307X/30/5/056201
dc.identifier.issn0256-307X
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1088/0256-307X/30/5/056201
dc.identifier.urihttps://hdl.handle.net/11491/1940
dc.identifier.volume30en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.relation.ispartofChinese Physics Letters
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subject[Belirlenecek]en_US
dc.titleEmbedded atom method-based geometry optimization aspects of body-centered cubic metals
dc.typeArticle

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