基于余氏固体与分子经验电子理论,利用平均原子晶胞模型计算了Ti3Al基合金中延性β相的价电子结构,给出了其价电子结构信息--相结构因子nA,σN,F.用相结构因子nA,σN,F分析讨论了β相价电子结构与稳定性的关系及合金元素的合金化行为.认为β相及含不同合金元素的β相的精细价电子结构是金属间化合物α2-Ti3Al合金化与Ti3Al基合金选择Nb,V,Mo 3种合金元素作为常用合金化元素的微观本质原因.
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