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dc.contributor.authorYuasa, Motohiroen
dc.contributor.authorHakamada, Masatakaen
dc.contributor.authorChino, Yasumasaen
dc.contributor.authorMabuchi, Mamoruen
dc.contributor.alternative湯浅, 元仁ja
dc.contributor.alternative袴田, 昌高ja
dc.contributor.alternative千野, 靖正ja
dc.contributor.alternative馬渕, 守ja
dc.date.accessioned2019-03-27T06:40:04Z-
dc.date.available2019-03-27T06:40:04Z-
dc.date.issued2015-05-15-
dc.identifier.issn0915-1559-
dc.identifier.urihttp://hdl.handle.net/2433/237639-
dc.description.abstractFirst-principles tensile tests were performed to investigate the effect of Cr segregation on the hydrogen-induced embrittlement in Fe grain boundaries. The Fe grain boundary with H and Cr segregation exhibited the higher maximum stress and strain to failure than those of the Fe grain boundary with only H segregation. Cr segregation suppressed the extension of the Fe-Fe bond weakened by H segregation. In the Fe grain boundary with H and Cr segregation, the decrease in the charge density in the bond with straining was suppressed because of charge transfer from the Cr atom to its neighboring Fe atoms. This charge accumulation in the grain boundary region is responsible for the reinforcement of bonds in the Fe grain boundary with H segregation, contributing to the suppression the hydrogen-induced embrittlement of Fe grain boundaries.en
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherIron and Steel Institute of Japanen
dc.publisher.alternative日本鉄鋼協会ja
dc.rights© 2015 by The Iron and Steel Institute of Japanen
dc.rightsPublisher permitted to deposit this paper on this repository. 発行元の許可を得て登録していますen
dc.subjectfirst-principles calculationsen
dc.subjectgrain boundaryen
dc.subjectsegregationen
dc.subjecthydrogen embrittlementen
dc.titleFirst-principles Study of Hydrogen-induced Embrittlement in Fe Grain Boundary with Cr Segregationen
dc.typejournal article-
dc.type.niitypeJournal Article-
dc.identifier.jtitleISIJ Internationalen
dc.identifier.volume55-
dc.identifier.issue5-
dc.identifier.spage1131-
dc.identifier.epage1134-
dc.relation.doi10.2355/isijinternational.55.1131-
dc.textversionpublisher-
dc.addressMaterials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technologyen
dc.addressGraduate School of Energy Science, Kyoto Universityen
dc.addressMaterials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technologyen
dc.addressGraduate School of Energy Science, Kyoto Universityen
dcterms.accessRightsopen access-
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