The dependence of antiphase boundary energies, in the γ-phase, upon temperature and concentration was predicted from first principles. Finite-temperature antiphase boundary energies were calculated, for both thermally equilibrated and non-equilibrated {100} and {111} boundaries, as a function of the Al concentration. It was found that the effect of temperature, and Al-rich compositions, was to reduce significantly the calculated energies; thus bringing the theoretical values into better agreement with estimates that were based upon experimental measurements.

The Concentration and Temperature Dependences of Antiphase-Boundary Energies in γ-TiAl: a First-Principles Study M.Asta, A.A.Quong: Philosophical Magazine Letters, 1997, 76[5], 331-9