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By using molecular statics, molecular dynamics, and Monte Carlo techniques we validate a previously developed empirical n-body potential adapted to Cu3Au. At T = 0 K, predicted cohesive energies, lattice parameters, and elastic constants in CuAu and CuAu3 as well as the formation energy of vacancies in Cu3Au are in good agreement with experimental data. A satisfactory behavior is also obtained at T ~ 0 K in Cu3Au, for atomic mean-square displacements and elastic moduli. However, this model underestimates the vacancy migration energy and the order-disorder critical temperature when the latter is evaluated by Monte Carlo including both exchanges between atoms of different species and atomic moves simulating vibrations.

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