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YCo5-xMx(M=Fe,Ti)中合金元素擇優占位

Site preference of alloying elements in YCo5-based alloys

    摘要
  • 摘要: 利用多元晶體中原子擇優占位MBW模型和原子間相互作用勢,從原子層次對合金元素Fe,Ti在CaCu5結構的Y-Co合金中的擇優占位進行了計算研究.計算結果表明,Fe和Ti擇優占據3g位置,與實驗結果符合.

     

    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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