Electronic structure of Sigma 5[100] grain boundary and doping effect in iron
文献类型：期刊论文
| 作者 | Song, Q; Wang, C |
| 刊名 | INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98
 |
| 出版日期 | 1999 |
| 卷号 | 294-2页码:719-722 |
| 关键词 | electronic structure grain boundary doping effect |
| ISSN号 | 0255-5476 |
| 通讯作者 | Song, Q() |
| 英文摘要 | Based on CSL model and MD relaxation, the atomic structure of Sigma 5 [100] grain boundary in alpha-Fe are obtained. By using the tight-binding recursion method, the electronic structure and boron doping effect on Sigma 5 [100] grain boundary in alpha-Fe are investigated. The calculated results indicate that the boron enhances the atomic interaction between the host atoms on grain boundary, as well as between the boron and host atoms. The calculation of the energy of impurity segregation to grain boundary shows that the boron has the tendency to segregate onto the grain boundary, and can improve the cohesion of grain boundary. |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000080081000166 |
| 出版者 | TRANSTEC PUBLICATIONS LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/110124]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Song, Q |
| 作者单位 | 1.Cent Iron & Steel Res Inst, CN-100081 Beijing, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, CN-110015 Shenyang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Song, Q,Wang, C. Electronic structure of Sigma 5[100] grain boundary and doping effect in iron[J]. INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98,1999,294-2:719-722. |
| APA | Song, Q,&Wang, C.(1999).Electronic structure of Sigma 5[100] grain boundary and doping effect in iron.INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98,294-2,719-722. |
| MLA | Song, Q,et al."Electronic structure of Sigma 5[100] grain boundary and doping effect in iron".INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98 294-2(1999):719-722. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。