Simulation of defect complex migration in ordered intermetallic structures

We examine how the interaction between different defects influences the atom 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 computer program to model diffusion processes in ordered structures. For this aim we used two methods: the Monte Carlo method and the method of static relaxation. Very competitive results are obtained. These results allow us to speak with confidence about the existence of a new diffusion mechanism, which is called the dynamic pair (DP) mechanism. This mechanism is typical for the ordered structures.