Ti-4.5Al-5Mo-1.5Cr合金(α+β)/β转变温度的价键理论计算

Calculation of(α+β)/β transition temperature of Ti-4.5Al-5Mo-1.5Cr alloy with valence bond theory

基于EET理论和钛合金相变基本理论,以纯钛的同素异构转变温度为依据,在计算合金相最强键共价电子对数nA、组织中α相和β相的晶胞权重、α和β稳定元素对相变温度的影响、相修正系数及β稳定元素温度系数的基础上,给出一种从价电子结构层次计算α+β两相钛合金(α+β)/β转变温度的方法。据此,计算Ti-4.5Al-5Mo-1.5Cr合金的(α+β)/β转变温度,理论计算值为945.48℃,实测值为925℃,理论计算值与实测值相对误差为2.21%。

The valence electron structure parameter nAwhich is the valence electron pairs on the strongest bond of alloy phases was calculated based on the Empirical Electron Theory of Solids and Molecules and the basic theory of the phase transformation of titanium alloys. A new method to calculate the pleomorphism transition temperature of titanium alloys from the valence electron theoretical level was put forward based on the crystal cell weight of α and β phases in the microstructure,the compensation factor of the phase and the temperature factor of the β stable element. The phase transformation temperatures of Ti-4.5Al-5Mo-1.5Cr titanium alloys were calculated. The theoretical value is 945.48 ℃ and experimental value is 925 ℃,the relative error is 2.21%.