Simulation of the binary alloy ordering kinetics during diffusion bonding

Abstract

Analysis of the dynamics of ordering / disordering kinetics of alloys of different stoichiometry is a very important problev due to the fact that in some cases this process determines the structure and properties of the materials that form the basis of various elements and mechanisms. One of the most effective methods of modeling the processes of alloys ordering by vacancy mechanism is the Monte Carlo method. Using this method we performed a simulation of the ordering process in a binary alloy bases on the square crystal lattice. In this research the approximation of pair bonds, modeling was carried out taking into account the first two coordination spheres in a wide range of energies of ordering is used. For all considered values, the dependence of the alloy energy on time is a monotonically decreasing function, which indicates the positive dynamics of the ordering process. It is found that the ordering rates of alloys can strongly depend on the parameters of the pair interaction, even at the same ordering energies. The maximum ordering rate is observed at equal interaction energies of the two components of the alloy. The obtained data can be used as a basis for the construction of more complex realistic models of the bonding of dissimilar materials.