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(EAM)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.
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.
出处
《广西大学学报（自然科学版）》
CAS
CSCD
2000年第1期29-31,共3页
Journal of Guangxi University（Natural Science Edition）
基金
国家自然科学基金!59762001
广西自然科学基金!9912031
广西自然科学基金!9811031
关键词
嵌入原子模型
弹性性质
模型参数
晶体
embedded atom method
defect properties
elastic properties
