First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary
文献类型：期刊论文
| 作者 | R. Yang ; Y. M. Wang ; R. Z. Huang ; H. Q. Ye ; C. Y. Wang |
| 刊名 | Physical Review B
 |
| 出版日期 | 2002 |
| 卷号 | 65期号:9 |
| 关键词 | electronic-structure phosphorus segregation stainless-steel embrittlement austenite nitrogen boron impurities fracture metals |
| ISSN号 | 1098-0121 |
| 中文摘要 | By use of the linear-combination-of-atomic-orbital (LCAO) method for a cluster model, we studied the electronic structure of gamma-from Sigma 11 [1 (1) over bar0](11 (3) over bar) grain boundary doping with N and Mn atoms. The effect of the segregation on the cohesion of the grain boundary is investigated based on the Rice-Wang thermodynamic model. It is found that N could not only largely enhance the cohesion of the grain boundary but also eliminate the detrimental effect of Mn. The cosegregation effect of Mn and N on the cohesion of the grain boundary depends on where they segregate. Nitrogen could be reliably used in alloyed steels as an efficient strengthening element. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36491]  |
| 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 | R. Yang,Y. M. Wang,R. Z. Huang,et al. First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary[J]. Physical Review B,2002,65(9). |
| APA | R. Yang,Y. M. Wang,R. Z. Huang,H. Q. Ye,&C. Y. Wang.(2002).First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary.Physical Review B,65(9). |
| MLA | R. Yang,et al."First-principles study on the effect of Mn and N on the cohesion of a gamma-iron grain boundary".Physical Review B 65.9(2002). |
入库方式： OAI收割
来源：金属研究所
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