Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method
文献类型：期刊论文
| 作者 | S. Yu ; C. Y. Wang ; T. Yu |
| 刊名 | Acta Physica Sinica
 |
| 出版日期 | 2007 |
| 卷号 | 56期号:6页码:3212-3218 |
| 关键词 | embedded atom method Ni3Al Re occupational site cluster molecular-dynamics simulation grain-boundary metals superalloys energies alloys |
| ISSN号 | 1000-3290 |
| 中文摘要 | An analytical embedded atom method model of Ni-Al-Re system is constructed on the basis of the physical properties of pure constituents Ni, Al, and Re. The characteristic properties of Ni3Al, including equilibrium lattice constants elastic constants, cohesive energy, vacancy formation energy, and antisite defect formation energy, are calculated. The types of point defects in Ni3Al are discussed, and it is shown that the point defect is the antisite defect in the nonstoichiometric case. Furthermore, the occupation site of Re in Ni3Al is analyzed, the clustering of Re in Ni3Al and Ni are also studied. The calculation results show that the occupational site of Re is the Al site, and that the growth tendency of Re cluster becomes weak when the size of Re cluster reaches to 11 angstrom. The present calculations are in agreement with the experiment and the theoretical results obtained by other authors. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34011]  |
| 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 | S. Yu,C. Y. Wang,T. Yu. Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method[J]. Acta Physica Sinica,2007,56(6):3212-3218. |
| APA | S. Yu,C. Y. Wang,&T. Yu.(2007).Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method.Acta Physica Sinica,56(6),3212-3218. |
| MLA | S. Yu,et al."Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method".Acta Physica Sinica 56.6(2007):3212-3218. |
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。