Theoretical Calculation of β Transition Temperature of Ti-6Al-4V from Valence Electron Level
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 β transition temperature of titanium alloys is put forward after calculating the valence electron structure(VES) parameter nA which is the covalence electron pairs on the strongest bond of alloy phases, the crystal cell weight of a and b phases in the structure, the compensation coefficient of the phase and the temperature coefficient of b stable element. After calculating we find β transition temperature of Ti-6Al-4V is 974.9 °C, the error of the theoretical calculation value and the experimental one(995 °C) is 2%, so it is feasible to calculate β transition temperature of the titanium alloys from covalence electron level.
Jianzhong Wang and Jingang Qi
H. Qu and W. D. Liu, "Theoretical Calculation of β Transition Temperature of Ti-6Al-4V from Valence Electron Level", Advanced Materials Research, Vols. 299-300, pp. 592-595, 2011