Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel
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 s...
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2013/382060 |
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| _version_ | 1850224131985899520 |
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| author | Yanguo Li Cheng Chen Fucheng Zhang |
| author_facet | Yanguo Li Cheng Chen Fucheng Zhang |
| author_sort | Yanguo Li |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-5c248dd5f41f4268ac823cd32105cfed |
| institution | OA Journals |
| issn | 1687-8434 1687-8442 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Materials Science and Engineering |
| spelling | doaj-art-5c248dd5f41f4268ac823cd32105cfed2025-08-20T02:05:42ZengWileyAdvances in Materials Science and Engineering1687-84341687-84422013-01-01201310.1155/2013/382060382060Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic SteelYanguo Li0Cheng Chen1Fucheng Zhang2State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, ChinaA 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.http://dx.doi.org/10.1155/2013/382060 |
| spellingShingle | Yanguo Li Cheng Chen Fucheng Zhang Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel Advances in Materials Science and Engineering |
| title | Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel |
| title_full | Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel |
| title_fullStr | Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel |
| title_full_unstemmed | Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel |
| title_short | Al and Si Influences on Hydrogen Embrittlement of Carbide-Free Bainitic Steel |
| title_sort | al and si influences on hydrogen embrittlement of carbide free bainitic steel |
| url | http://dx.doi.org/10.1155/2013/382060 |
| work_keys_str_mv | AT yanguoli alandsiinfluencesonhydrogenembrittlementofcarbidefreebainiticsteel AT chengchen alandsiinfluencesonhydrogenembrittlementofcarbidefreebainiticsteel AT fuchengzhang alandsiinfluencesonhydrogenembrittlementofcarbidefreebainiticsteel |