Applied Physics and Mathematics Annotation << Back CALCULATE THE ENERGY OF INTERATOMIC INTERACTION ORDERED ALLOY COMPOSITION AnBm USING GENETIC ALGORITHM METHOD A.R. HALIKOV, S.V. DMITRIEV In this article we consider the problem of calculating the energy of interatomic interactions for predetermined structures ordered alloys AnBm compositions. energy calculation is carried out using the method of genetic algorithm. The basis of calculation - the atomic structure of the composition AnBm unknown interatomic potentials. The result of the calculation - values of interatomic potentials, identification and selection of which by conventional methods, a large number of focal areas, is very diffi cult. The work on the set of energy structures were determined interatomic interactions on the first five focal areas. Using the calculated interatomic potentials, it was modeled reverse process - the ordering of the alloy by the vacancy mechanism of diffusion in the approximation of a rigid lattice. The structures, which calculated the energy of interatomic potentials, and then received in the course of the simulation were similar, indicating that the applicability of the method of genetic algorithm, including, and in the task of determining the interatomic potentials. Minimum cost of machine time during the fi ve solutions to the problem of coordination spheres show that this method may be applicable to calculate the interatomic potential for more spheres. The presented method of calculation used in those cases where the existing structure of the composition of the alloy AnBm necessary to simulate the process of ordering, and the energy of interatomic interactions in the coordination spheres are unknown. Keywords: sublimation energy, phase diagram, modeling agencies, Morse potential, the vacancy diffusion mechanism genetic algorithm. DOI: 10.25791/pfim.04.2018.139 Contacts: E-mail: khalikov.albert.r@gmail.com, E-mail: dmitriev.sergei.v@gmail.com Pp. 03-09.