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Molecular Dynamics Analysis of Hydrogen Diffusion Behavior in Alpha-Fe Bi-Crystal under Bending Deformation

Ken-ichi Saitoh,Haruka Koga, Tomohiro Sato,Masanori Takuma, Yoshimasa Takahashi

APPLIED MECHANICS(2024)

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Key words
molecular dynamics,numerical analysis,iron and steel,hydrogen embrittlement,diffusion,embedded atom method,strain gradient,bending deformation,grain boundary
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