W替代对Ti2AlNb基合金电子结构与性能的影响

Effect of W Substitution on Electronic Structures and Properties of Ti2AlNb-Based Alloy

利用固体与分子经验电子理论计算了Ti2AlNb基合金中外来原子W的不同占位比引起基体电子结构的变化,分析了价电子结构参数nA,σ和ρ的变化及描述原子状态的特征参数nT,nc,nl的变化,讨论了W在不同占位比情况下的价电子结构对合金性能的影响。

The change of electron structures are calculated with the empirical electron theory of solid and molecule for Ti2AlNb-based alloy with different W occupations in Ti sublattice. The changes of valence electron structures parameters （nA, σ and p） and atomic state parameters （nT, nc and n1） are analyzed. The effects of valence electron structures with different W occupations in Ti sublattice on the properties of alloy are discussed.