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Strain field of interstitial hydrogen atom in body-centered cubic iron and its effect on hydrogen-dislocation interaction

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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/52114

Title: Strain field of interstitial hydrogen atom in body-centered cubic iron and its effect on hydrogen-dislocation interaction
Authors: Wang, Shuai Browse this author
Takahashi, Keisuke Browse this author
Hashimoto, Naoyuki Browse this author
Isobe, Shigehito Browse this author →KAKEN DB
Ohnuki, Somei Browse this author →KAKEN DB
Keywords: Density functional theory
Hydrogen embrittlement
Iron alloys
Stress relaxation
Issue Date: Mar-2013
Publisher: Elsevier
Journal Title: Scripta Materialia
Volume: 68
Issue: 5
Start Page: 249
End Page: 252
Publisher DOI: 10.1016/j.scriptamat.2012.10.026
Abstract: Effect of hydrogen in body-centered cubic iron is explored by using the density function theory. Hydrogen atoms increase the concentration of free electrons in the simulation cell and have bonding interaction with Fe atom. Caused by anisotropic strain components of hydrogen atoms in the tetrahedral sites, elastic interaction for hydrogen with screw dislocation has been found. The dependence of hydrogen-screw dislocation interaction on hydrogen concentration is confirmed by repeated stress relaxation tests.
Type: article (author version)
URI: http://hdl.handle.net/2115/52114
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 王 帥(Shuai Wang)

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