Order-disorder segregation effects of Ti at (111) and (100) antiphase boundaries in Ni3Al were examined. Effective interatomic interactions derived from ab initio local density approximation electronic structure calculations were used. Results showed that antiphase boundary energy in L12 compounds was generally larger on (111) planes than on (100) planes. The Ti strongly segregated away from antiphase boundary.

Prediction of the Effect of Ti on the (111) and (100) Antiphase Boundary Energy in Ni3Al. Wang, H.P., Sluiter, M., Kawazoe, Y.: Materials Transactions, 1999, 40[11], 1301-5