Abstract

Results of a computer experiment simulating the atomic ordering process in a model alloy of stoichiometric composition AB and accounting for the range of action of the interatomic-interaction potential are analyzed. The effect of the range of action of the interaction potential (influence of the number of coordination spheres included in the interatomic interaction) on the disordering kinetics and on the order–disorder phase transition in the material at temperatures T c between 0 and 1.1 (T c is the temperature at which the atomic long-range order vanishes) is studied. The structure and energy features of atomic ordering are discussed. The objective necessity of accounting for long-range contributions in modeling order–disorder phase transitions and for the kinetics of temperature–induced ordering and disordering processes is examined.

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