A semi-schematic model for the center of mass dynamics in supercooled molecular liquids

Details A semi-schematic model for the center of mass dynamics in supercooled molecular liquids A semi-schematic model for the center of mass dynamics in supercooled molecular liquids

1997-07-08

arxiv.org/abs/cond-mat/9707077v1

Physics

Condensed Matter

Statistical Mechanics

Revtex, 2 figures

Scientific paper

10.1103/PhysRevE.57.1485

We introduce a semi-schematic mode-coupling model to describe the slow dynamics in molecular liquids, retaining explicitly only the description of the center of mass degrees of freedom. Angular degrees of freedom are condensed in a q-vector independent coupling parameter. We compare the time and q-dependence of the density fluctuation correlators with numerical data from a 250 ns long molecular dynamics simulation. Notwithstanding the choice of a network-forming liquid as a model for comparing theory and simulation, the model describes the main static and dynamic features of the relaxation in a broad q-vector range.

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