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

Citation
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
Citations number
46
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
22
Year of publication
2000
Pages
9834 - 9840
Database
ISI
SICI code
0021-9606(20000608)112:22<9834:CTPELD>2.0.ZU;2-1
Abstract
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].