The effect of hydrogen on the electronic structure of kink in bcc iron
文献类型：期刊论文
| 作者 | L. Q. Chen ; Z. C. Qiu ; T. Yu ; C. Y. Wang |
| 刊名 | Science in China Series E-Technological Sciences
 |
| 出版日期 | 2009 |
| 卷号 | 52期号:5页码:1212-1218 |
| 关键词 | electronic structure dislocation kink impurity edge dislocation fe metals energy location impurity |
| ISSN号 | 1006-9321 |
| 中文摘要 | The electronic structures of kinks in the [100](010) and 1/2[111](-110) edge dislocations in bcc iron containing hydrogen are investigated by means of the first-principles DMol method and the discrete variational method. The effects of hydrogen on the kinks are discussed. The results show that hydrogen forms weak bonding states with its neighboring host atoms, and since hydrogen draws charge from its neighboring host atoms, the interactions between most of the host atoms are weakened compared with those of the corresponding atomic pairs in the clean kinks. This indicates that the migration of kink, i.e. the motion of dislocation, is easier in the doping hydrogen kink than in the clean kink, which may be the solid solution softening effect resulting from the impurity hydrogen. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31828]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | L. Q. Chen,Z. C. Qiu,T. Yu,et al. The effect of hydrogen on the electronic structure of kink in bcc iron[J]. Science in China Series E-Technological Sciences,2009,52(5):1212-1218. |
| APA | L. Q. Chen,Z. C. Qiu,T. Yu,&C. Y. Wang.(2009).The effect of hydrogen on the electronic structure of kink in bcc iron.Science in China Series E-Technological Sciences,52(5),1212-1218. |
| MLA | L. Q. Chen,et al."The effect of hydrogen on the electronic structure of kink in bcc iron".Science in China Series E-Technological Sciences 52.5(2009):1212-1218. |
入库方式： OAI收割
来源：金属研究所
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