Literature DB >> 18351842

Feasibility of a single-parameter description of equilibrium viscous liquid dynamics.

Ulf R Pedersen1, Tage Christensen, Thomas B Schrøder, Jeppe C Dyre.   

Abstract

Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics is described by a single parameter to a good approximation. For the Kob-Andersen binary Lennard-Jones mixture as well as for an asymmetric dumbbell model liquid, a single-parameter description works quite well. This is confirmed by time-domain results where it is found that energy and pressure fluctuations are strongly correlated on the alpha time scale in the constant-volume, constant-temperature ensemble; similarly, energy and volume fluctuations correlate strongly in the constant-pressure, constant-temperature ensemble.

Entities:  

Year:  2008        PMID: 18351842     DOI: 10.1103/PhysRevE.77.011201

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  1 in total

1.  Correlated volume-energy fluctuations of phospholipid membranes: a simulation study.

Authors:  Ulf R Pedersen; Günther H Peters; Thomas B Schrøder; Jeppe C Dyre
Journal:  J Phys Chem B       Date:  2010-02-18       Impact factor: 2.991

  1 in total

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