Multi-Modal “Order-Order” Kinetics in Ni3Al Studied by Monte Carlo Computer Simulation

Abstract

ABSTRACT“Order-order” relaxations in γ-Ni3Al previously extensively studied by means of resistometry, are simulated within a model of vacancy mechanism of atomic migration in a superstructure implemented with Monte Carlo technique and the Glauber algorithm. The observed operation of two simultaneous relaxation processes showing different rates, as well as the theoretically predicted effect of vacancy ordering have been definitely reproduced and analysed in detail in terms of the dynamics of particular kinds of atomic jumps. The proposed model scenario for the creation and elimination of antisite atoms in the relaxing L12-type superstructure shows that the experimentally observed features of the “order-order” processes in Ni3Al follow from an interplay between two dominating and coupled modes of long- and short-range ordering: the creation/elimination of nn pairs of antisites (SRO) and the change of the “overall” number of antisites (LRO). High profile of the first process results in a high contribution of the fast component of LRO kinetics.