Tb. Schroder et al., Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid, J CHEM PHYS, 112(22), 2000, pp. 9834-9840
An equilibrated model glass-forming liquid is studied by mapping successive
configurations produced by molecular dynamics simulation onto a time serie
s of inherent structures (local minima in the potential energy). Using this
"inherent dynamics" approach we find direct numerical evidence for the lon
g held view that below a crossover temperature, T-x, the liquid's dynamics
can be separated into (i) vibrations around inherent structures and (ii) tr
ansitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 372
8 (1969)], i.e., the dynamics become "dominated" by the potential energy la
ndscape. In agreement with previous proposals, we find that T-x is within t
he vicinity of the mode-coupling critical temperature T-c. We further find
that near T-x, transitions between inherent structures occur via cooperativ
e, stringlike rearrangements of groups of particles moving distances substa
ntially smaller than the average interparticle distance. (C) 2000 American
Institute of Physics. [S0021-9606(00)50122-6].