摘要：The behavior of γ–β/β
0 phase transition in TiAl alloy doped with β stabilizers (V, Cr, Mn) are studied by using the first principles method. It is found that alloying addition as well as anharmonic lattice vibration and disordered atomic occupation contributes to enhance the stability of cubic structure and accordingly introduce the disordered β phase into the high-temperature microstructure. The formation of low-temperature β
0 phase originates from not only the stabilization of cubic structure but also the destabilization of tetragonal structure. In particular, the latter is the main reason for the premature precipitation of the hard-brittle β
0 phase in the room-temperature microstructure at low nominal doping concentrations. We also find a special doping region in which the γ and the β phases are stable, while the β
0 phase is unstable. The existence of this region provides an opportunity for the regulation of the contents of β and β
0 phases.
