| 钙、锶的嵌入原子模型参数和性能计算 |
| |
| 引用本文： | 欧阳义芳,陈红梅,钟夏平. 钙、锶的嵌入原子模型参数和性能计算[J]. 广西大学学报(自然科学版), 2000, 25(1): 29-31 |
| |
| 作者姓名： | 欧阳义芳 陈红梅 钟夏平 |
| |
| 作者单位： | 广西大学,理学院,广西,南宁,530004 |
| |
| 基金项目： | 国家自然科学基金，广西自然科学基金，广西自然科学基金，59762001，9912031，9811031，，， |
| |
| 摘 要： | 采用欧阳义芳等人提出的原子相互作用势及其确定嵌入原子模型参数的方案，得到了Ｃａ和Ｓｒ的嵌入原子模型参数，用该模型计算了两元素的单空位形成能、双空位结合能、结构稳定性和弹性常数、计算值与实验符合得比较好。
|
| 关 键 词： | 嵌入原子模型 弹性性质 模型参数 晶体 |
| 文章编号： | 1001-7445(2000)01-0029-03 |
| 修稿时间： | 1999-11-23 |
Calculations of properties and EAM parameters for Ca and Sr |
| |
| OUYANG Yi-fang,CHENGHong-mei,ZHONG Xia-ping. Calculations of properties and EAM parameters for Ca and Sr[J]. Journal of Guangxi University(Natural Science Edition), 2000, 25(1): 29-31 |
| |
| Authors: | OUYANG Yi-fang CHENGHong-mei ZHONG Xia-ping |
| |
| Affiliation: | OUYANG Yi-fang,CHENGHong-mei,ZHONG Xia-ping(College of Mathematics and Physics,Guangxi University,Nanning 530004,China) |
| |
| Abstract: | The embedded atom method parameters of Ca and Sr has been obtained by using the interatomic potential and procedure of determining the EAM parameters presented by Ouyang et al. The model is applied to calculating monovacancy formation energy, di vacancy binding energy, the stability of structure and elastic properties of them. The calculated results are in good agreement with experiments available. |
| |
| Keywords: | embedded atom method defect properties elastic properties |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
|
