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

SCRIPTA MATERIALIA

卷:68

Article

Wang, Shuai¹  Takahashi, Keisuke¹  Hashimoto, Naoyuki¹  Isobe, Shigehito²  Ohnuki, Somei¹ 

[1] Hokkaido Univ, Grad Sch Engn, Sapporo, Hokkaido 0608278, Japan

[2] Hokkaido Univ, Creat Res Inst, Sapporo, Hokkaido 0010021, Japan

关键词: Density functional theory;    Hydrogen embrittlement;    Iron alloys;    Stress relaxation;   

DOI  :  10.1016/j.scriptamat.2012.10.026

来源: Elsevier

【 摘 要 】

The 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 undergo bonding interaction with Fe atoms. Elastic interaction between hydrogen and screw dislocations was found, caused by the anisotropic strain components of the hydrogen atoms in the tetrahedral sites. The dependence of the hydrogen-screw dislocation interaction on hydrogen concentration is confirmed by repeated stress relaxation tests. (c) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free