Interactions between various defects, and their effect upon atom diffusivity in intermetallic systems, were studied. A new model was developed which permitted the simulation of such effects. On the basis of this model, the processes were treated by using Monte Carlo and static relaxation methods. Very similar results were obtained, and a new diffusion mechanism was proposed. This was called the dynamic pair mechanism, and was suggested to be typical of ordered structures.

Simulation of Defect Complex Migration in Ordered Intermetallic Structures. M.G.Ganchenkova, A.V.Nazarov: Computational Materials Science, 2000, 17[2-4], 319-23