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Advances in Materials Science and Engineering
Volume 2013, Article ID 382060, 7 pages
http://dx.doi.org/10.1155/2013/382060
Research Article

Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China

Received 14 September 2013; Accepted 17 October 2013

Academic Editor: Filippo Berto

Copyright © 2013 Yanguo Li et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

A first-principle method based on the density functional theory was applied to investigate the Al and Si influences on the hydrogen embrittlement of carbide-free bainitic steel. The hydrogen preference site, binding energy, diffusion behaviour, and electronic structure were calculated. The results showed that hydrogen preferred to be at the tetrahedral site. The binding energy of the cell with Si was the highest and it was decreased to be the worst by adding hydrogen. The diffusion barrier of hydrogen in the cell containing Al was the highest, so it was difficult for hydrogen to diffuse. Thus, hydrogen embrittlement can be reduced by Al rather than Si.