Calculation model of effective interchange interaction potential of DO₂₂ phase based on microscopic phase-field

Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w₁) for DO₂₂ phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni₃V-DO₂₂ phase were obtained. The inversion calculation of Ni₃V-DO₂₂ indicates that with the temperature or atomic concentration increasing, w₁ increases. If the w₁ changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.