Kinetics of Relaxation at the Liquid-Glass Transition

Abstract

AbstractWe use molecular-dynamics simulations to investigate relaxation processes near the liquid-glass transition for a realistic model of the metal-metalloid system Ni80P20. We find that relaxation proceeds in two stages, excluding phonons: fast (or conformational) relaxation, related to local rearrangements of atoms, and slow relaxation, connected with atomic transport, i.e. diffusion. These processes are usually referred to as β and α, respectively. Our simulations show that diffusion exists even in the glass state, where it proceeds mostly by jumps, in contrast to the liquid phase where it is continuous. This relaxation mechanism is well described by a stretched exponential (Kohlrausch) law, in accord with recent modecoupling theories for supercooled liquids. The fast relaxation regime, on the other hand, does not appear to be well described by the theory.