Analytical Description of the Short-Range Order in Alloys with Many-Body Atomic Interactions
The high-accuracy ring approximation elaborated in [R. V. Chepulskii and V. N. Bugaev, J. Phys. Condens. Matter 10, 7309; 7327 (1998)] by use of the thermodynamic fluctuation method in the context of the modified thermodynamic perturbation theory as applied to the lattice gas model is generalized for calculation of the short-range order (SRO) parameters and their Fourier transform in disordered binary alloys with many-body atomic interactions of arbitrary order and effective radius of action. On the basis of the comparison with the Monte Carlo simulation data, the numerical accuracy of the derived approximation is studied. It is demonstrated that the temperature dependence of a position in reciprocal space of the SRO Fourier transform’s maximums is correctly described within this approximation.
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