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arxiv: cond-mat/9707077 · v1 · submitted 1997-07-08 · ❄️ cond-mat.stat-mech · cond-mat.soft

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

classification ❄️ cond-mat.stat-mech cond-mat.soft
keywords modeldynamicsmolecularcenterdegreesfreedomliquidsmass
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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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