Molecular Dynamics Studies of Hydrogen Effect on Intergranular Fracture in <i>α</i>-Iron

Molecular Dynamics Studies of Hydrogen Effect on Intergranular Fracture in <i>α</i>-Iron

In the current study, the effect of hydrogen atoms on the intergranular failure of <i>α</i>-iron is examined by a molecular dynamics (MD) simulation. The effect of hydrogen embrittlement on the grain boundary (GB) is investigated by diffusing hydrogen atoms into the grain boundaries usin...

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Bibliographic Details
Main Authors: Xiao Xing, Gonglin Deng, Hao Zhang, Gan Cui, Jianguo Liu, Zili Li, Bingying Wang, Shouqin Li, Chao Qi
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Materials
Subjects:
hydrogen embrittlement
intergranular cracking
atomistic mechanism
molecular dynamics
Online Access:https://www.mdpi.com/1996-1944/13/21/4949

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