Diffusion in a model metallic glass: heterogeneity and ageing

Abstract

We report results of molecular dynamics simulations of a binary Lennard-Jones system at zero pressure in the undercooled liquid and glassy states. We first follow the evolution of diffusivity and dynamic heterogeneity with temperature and show their correlation. In a second step we follow the ageing of a quenched glass. As diffusivity decreases with ageing, heterogeneity increases. We conclude that the heterogeneity is a property of the inherent diffusion of the relaxed state. The variations with aging time can be explained by annealing of quenched defect structures. This annealing has the same decay constants for both diffusivity and heterogeneity of both components. \