CALCULATION OF POINT-DEFECTS IN NIAL ALLOY

The potential functions of the F-S model for ordered high-temperature intermetallic compound NiAl with a B-2 structure are constructed. Usin g the potential, the point defects properties were studied by molecula r dynamics method, the results are in good agreement with that by EAM method and the experiment values. Meanwhile, the results clarify the e xperiments of two recovery stages in quenched NiAl alloy, and indicate that the two stages are corresponding to the recovery of Ni vacancies and of Al vacancies.