摘要
利用多元晶体中原子择优占位MBW模型和原子间相互作用势,从原子层次对合金 元素Fe,Ti在CaCu5结构的Y-Co合金中的择优占位进行了计算研究.计算结果表明,Fe和Ti 择优占据3g位置,与实验结果符合.
The site preference of alloy elements Fe and Ti in YCo5-based compounds with CaCu5 structure was studied by employing interatomic potentials and Modified-Bragg-Williams model. The result suggested that the elements Fe and Ti prefer to occupy the 3g sites, which matched with experimental results.
出处
《北京科技大学学报》
EI
CAS
CSCD
北大核心
2005年第1期32-34,共3页
Journal of University of Science and Technology Beijing
基金
国家"973"重点项目(No.TG200067106)
关键词
金属间化合物
Y-Co合金
择优占位
稀土合金
Alloying elements
Cobalt alloys
Computer simulation
Intermetallics
Iron alloys
Titanium alloys
Yttrium alloys
