Simple analytic embedded atom potentials for HCP metals
文献类型：期刊论文
| 作者 | Y. F. Ouyang ; B. W. Zhang ; S. Z. Liao ; Z. P. Jin |
| 刊名 | Transactions of Nonferrous Metals Society of China
 |
| 出版日期 | 1999 |
| 卷号 | 9期号:3页码:586-592 |
| 关键词 | embedded atom method vacancies formation energy structural stability method model binary-alloys bcc metals fcc cr |
| ISSN号 | 1003-6326 |
| 中文摘要 | A new simple analytic embedded atom model including a modified term, which has previously been successfully applied to the atoms in the FCC and BCC crystal systems, is now extended to the HCP structure. The model parameters are determined for HCP transition metals Co, Hf, Re, Ru, Sc, Ti, Y and Zr with ideal c/a ratios. The model is fitted to the lattice constants, cohesive energy, vacancy formation energy, elastic constants and is able to reproduce the experimental data quite well. The structure stability of real HCP, BCC and simple cubic is discussed, the formation energy of divacancy in the base plane anti in different planes are also calculated, and the divacancy is found to be not bound. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/37462]  |
| 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 | Y. F. Ouyang,B. W. Zhang,S. Z. Liao,et al. Simple analytic embedded atom potentials for HCP metals[J]. Transactions of Nonferrous Metals Society of China,1999,9(3):586-592. |
| APA | Y. F. Ouyang,B. W. Zhang,S. Z. Liao,&Z. P. Jin.(1999).Simple analytic embedded atom potentials for HCP metals.Transactions of Nonferrous Metals Society of China,9(3),586-592. |
| MLA | Y. F. Ouyang,et al."Simple analytic embedded atom potentials for HCP metals".Transactions of Nonferrous Metals Society of China 9.3(1999):586-592. |
入库方式： OAI收割
来源：金属研究所
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