Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

Abstract

An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the long held view that below a crossover temperature, T_x, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy landscape. In agreement with previous proposals, we find that T_x is within the vicinity of the mode-coupling critical temperature T_c. We further find that near T_x, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance.