Application of the hard-spheres' model for determination of the energy characteristics of point defects in alloys with antiphase boundaries

The method of calculation of formation energies (and characteristics connected with them) for the substitution point defects and vacancies is worked out within the framework of hard-spheres' model. By introducing into consideration the filling numbers for the (HKL)-orientation crystalline planes by different sites of a superlattice, rather simple expressions for the energies of above-mentioned defects' formation are obtained It is shown that, on average, the attraction of a vacancy to the antiphase boundary takes place. As an example, the numerical calculation is demonstrated for the Fe3Al alloy with DO3 superstructure.