延性β相稳定性与合金元素合金化行为的研究

Study on the Stability of Ductile β Phase and the Behaviors of Alloying Elements

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Ti3_Al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_-Ti3_Al合金化与Ti3_Al基合金选择Nb,V,Mo3种合金元素作为常用合金化元素的微观本质原因。

Based on the Empirical Electron Theory of Solids and Molecules, valence electron structures of β phases in Ti3Al-base alloys have been calculated with the method of average atom-cell model. The valence electron structure datum-phase structure factors including valence electron numbers of strongest bonds nA, numbers of atom state groups σN and total bond-forming ability F in β phases, are given and used to discuss the relationship between the valence structure and its stability, and behaviors of alloying elements. The essential reason for choosing Nb, V, Mo as common alloying elements in α2-Ti3Al compound and Ti3Al-base alloys is that β phases containing different alloying elements have different microcosmic electron structures.