Simulation of defect complex migration in ordered intermetallic structures

We examine how the interaction between different defects influences the ato m diffusivity in intermetallic systems. To solve this problem, a new model was developed which allows one to simulate the effect of the interaction of defects on their diffusivities. Based on this model, we have developed a c omputer program to model diffusion processes in ordered structures. For thi s aim we used two methods: the Monte Carlo method and the method of static relaxation. Very competitive results are obtained. These results allow us t o speak with confidence about the existence of a new diffusion mechanism, w hich is called the dynamic pair (DP) mechanism. This mechanism is typical f or the ordered structures. (C) 2000 Published by Elsevier Science B.V. All rights reserved.