Calculation of the ordering of the atoms in alloys with lattices of the Cu3Au type by the Monte Carlo method

The Monte Carlo method is used to calculate the temperature dependences of the short- and long-range ordering parameters in alloys with lattices of the Cu₃Au type. A new local ordering parameter is introduced and calculated. The equilibrium structure of the ordered alloy has a clearly-expressed domain character at high temperature. Above a certain temperature T_c the alloy contains small ordered complexes with lattices of the Cu₃Au and CuAu types. The relative temperatures kT_c/w₁ derived from various theories are compared. The quantity kT_c/w₁ obtained on the basis of the best analytical approximations agrees closely with that calculated by the Monte Carlo method.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 76–85, February, 1973.In conclusion, the authors wish to thank L. E. Popov for constant interest in the work and O. K. Gordeev for Idndly placing the program for computing and plotting the isolines at their disposal.