基于价电子理论的钛合金(α+β)/β相变温度计算及其验证

Theoretical calculation of the (α+β)/β transition temperature of α+β titanium alloys on the valence electron level

基于固体与分子经验电子理论和合金成分设计价电子理论与钛合金相变基本理论,以纯钛的α$β转变温度为依据,利用表征合金相重构难易程度的价电子结构参数n A,合金组成相α与β的晶胞权重W,相修正系数C及β稳定元素的温度系数TM c,给出了一种计算α+β两相钛合金(α+β)/β相变温度的方法并计算了21种α+β两相钛合金的(α+β)/β相变温度,理论计算值与实验测定值及经验法计算值符合得较好,说明从价电子结构层次计算α+β两相钛合金的(α+β)/β相变温度是可行的。

Based on the empirical electron theory of solids and molecules, the valence electron theory of alloy composition design and the phase transformation basic theory of titanium alloys, a new method of calculating the （α＋β）/β transition temperature of α＋β titanium alloys is put forward after calculating the valence electron structure parameter hA, the crystal cell weight W of α and β in the microstrueture, the compensation factor C of the phases and the temperature factor TMof the β stable element. Then the （α＋β）/β transition temperatures of common titanium alloys are calculated. The calculation values are consistent with the experimental values and the values of experience calculation, so it is feasible to calculate the （α＋β）/β transition temperature of α＋β titanium alloys on the valence electron level.