Experimental studies of the effect of Fe alloying on the long-range ordering kinetics in Ni₃Al_1-xFe_x revealed a decrease of the activation energy for "order-order" relaxations with an increase of Fe concentration. For low Fe concentrations the activation energy was close to the one measured for Fe^* tracer duffusion in Ni₃Al.

The effect has now been modeled in atomistic scale by means of Monte Carlo simulations of a quasi-binary L1₂-ordered system A₃B_1-xC_x with an Ising-type Hamiltonian. "Order-order" kinetics were simulated within Glauber dynamics implemented with vacancy mechanism of atomic jumps. The reality of Ni₃Al_l-xFe_x has been simulated by evaluating the atomic interaction energies in the way that the stability of L1₂ superstructure gradually decreases when the C concentration x increaes. The multi-time scale character of the relaxations known from the case of Ni₃Al was again observed. Detailed analysis of atomic jump statistics revealed: (i) a dominance of the C-atom jumps in the creation/elimination of antisite defects; (ii) an increased vacancy availability in the 1^st co-ordination shell of the C-atoms with respect to the A- and B-atoms. The results elucidate the role of Fe alloying in the kinetics of chemical ordering in Ni₃Al.

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