Abstract
Abstract The Ll2Ni3Al compound is known to be disordered by ion or electron irradiation, while preserving its crystalline structure. In this work, embedded-atom potentials are used to investigate the change of internal energy of the crystal and of the lattice parameter as a function of the degree of long range order. Various vacancy-interstitial configurations are investigated in order to explore the possibility of a substantial point defect buildup. It is found that spontaneous recombination is a function of the nature of the interstitial, the vacancy-interstitial distance and the characteristics of the atom environment of the pair. The vacancyinterstitial interaction is also found to be, in some cases, dependent on the local atomic environment. Local disorder, moreover, can produce in some cases interstitial trapping. The implications of the effects obtained in the present simulations on the possibility of an irradiation-induced amorphous transition are discussed.
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