The activation energy for self-diffusion along symmetrical tilt grain boundaries <111> in the Ni3Al intermetallic compound was calculated as a function of temperature and misorientation angle. For comparison, two types of potentials of interatomic interaction were used: pair Morse potentials and multi-particle Cleri-Rosato potentials. It was shown that the activation energy for grain-boundary diffusion increased with temperature upon applying the additional diffusion mechanisms. Three temperature ranges with various activation energies were found.

Activation Energy of Self-Diffusion along Symmetric Tilt Grain Boundaries <111> in the Ni3Al Intermetallic Compound. Kharina, E.G., Starostenkov, M.D., Poletaev, G.M., Rakitin, R.Y.: Physics of the Solid State, 2011, 53[5], 1043-6