Please use this identifier to cite or link to this item: https://hdl.handle.net/11499/6882
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dc.contributor.authorKart, Hasan Hüseyin-
dc.contributor.authorUludoğan, Mustafa-
dc.contributor.authorÇağın, Tahir-
dc.date.accessioned2019-08-16T12:12:24Z
dc.date.available2019-08-16T12:12:24Z
dc.date.issued2009-
dc.identifier.issn0927-0256-
dc.identifier.urihttps://hdl.handle.net/11499/6882-
dc.identifier.urihttps://doi.org/10.1016/j.commatsci.2008.08.007-
dc.description.abstractThe sulfur induced embrittlement of nickel ? 5 (0 1 2), a symmetrical tilt grain boundary, has been studied to understand why and how impurity atoms weaken the grain boundaries of nickel. By using first-principles calculations, the effect of concentration of sulfur has been investigated to comprehend the basic rules on the deterioration of a nickel grain boundary. We have found that the extension of the nickel grain boundary is a result of the repulsion of the segregated and neighboring sulfur atoms. © 2008 Elsevier B.V. All rights reserved.en_US
dc.language.isoenen_US
dc.relation.ispartofComputational Materials Scienceen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAb-initio calculationen_US
dc.subjectDensity functional theoryen_US
dc.subjectGrain boundary segregationen_US
dc.subjectGrain boundary structureen_US
dc.subjectNickelen_US
dc.subjectStress corrosion crackingen_US
dc.subjectAtomic physicsen_US
dc.subjectAtomsen_US
dc.subjectCorrosionen_US
dc.subjectCracking (chemical)en_US
dc.subjectGrain boundariesen_US
dc.subjectGrain size and shapeen_US
dc.subjectNickel alloysen_US
dc.subjectProgramming theoryen_US
dc.subjectResidual stressesen_US
dc.subjectSegregation (metallography)en_US
dc.subjectSulfuren_US
dc.subjectImpurity atomsen_US
dc.subjectSulfur atomsen_US
dc.subjectTilt grain boundaryen_US
dc.titleDFT studies of sulfur induced stress corrosion cracking in nickelen_US
dc.typeArticleen_US
dc.identifier.volume44en_US
dc.identifier.issue4en_US
dc.identifier.startpage1236
dc.identifier.startpage1236en_US
dc.identifier.endpage1242en_US
dc.authorid0000-0002-9286-5823-
dc.identifier.doi10.1016/j.commatsci.2008.08.007-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.scopus2-s2.0-58549098888en_US
dc.identifier.wosWOS:000263699600027en_US
dc.identifier.scopusqualityQ1-
dc.ownerPamukkale University-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextnone-
item.languageiso639-1en-
item.openairetypeArticle-
item.fulltextNo Fulltext-
item.cerifentitytypePublications-
crisitem.author.dept17.03. Physics-
Appears in Collections:Fen-Edebiyat Fakültesi Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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