YCo5-xMx(M=Fe,Ti)中合金元素择优占位

Site preference of alloying elements in YCo5-based alloys

    摘要
  • 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.

     

    Abstract: 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.

     

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