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タイトル: | First-principles Study of Hydrogen-induced Embrittlement in Fe Grain Boundary with Cr Segregation |
著者: | Yuasa, Motohiro Hakamada, Masataka https://orcid.org/0000-0002-8082-2148 (unconfirmed) Chino, Yasumasa Mabuchi, Mamoru https://orcid.org/0000-0002-0894-6306 (unconfirmed) |
著者名の別形: | 湯浅, 元仁 袴田, 昌高 千野, 靖正 馬渕, 守 |
キーワード: | first-principles calculations grain boundary segregation hydrogen embrittlement |
発行日: | 15-May-2015 |
出版者: | Iron and Steel Institute of Japan |
誌名: | ISIJ International |
巻: | 55 |
号: | 5 |
開始ページ: | 1131 |
終了ページ: | 1134 |
抄録: | First-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. |
著作権等: | © 2015 by The Iron and Steel Institute of Japan Publisher permitted to deposit this paper on this repository. 発行元の許可を得て登録しています |
URI: | http://hdl.handle.net/2433/237639 |
DOI(出版社版): | 10.2355/isijinternational.55.1131 |
出現コレクション: | 学術雑誌掲載論文等 |
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