Abstract:
Activation energy of self-diffusion along symmetric tilt grain boundaries $\langle$111$\rangle$ in the Ni$_3$Al inter-metallic compound has been calculated depending on the temperature and misorientation angle. For comparison, two types of potentials of interatomic interaction have been used: pair Morse potentials and multi-particle Cleri–Rosato potentials. It has been shown that the activation energy of grain-boundary diffusion increases with temperature on applying the additional diffusion mechanisms. Three temperature ranges with various activation energies have been found.