Dynamic heterogeneities of translational and rotational motion of a molecular glass former from computer simulations

Jiang Qian, R. Hentschke, A. Heuer

Research output: Contribution to journalArticle

Abstract

We employ classical molecular dynamics simulations to study the rotational and translational dynamics of propylene carbonate. The homogeneous and heterogeneous contributions to the nonexponential relaxation are studied. The non-Gaussian parameter is found to be strongly correlated with the degree of heterogeneity. Furthermore the coupling between translational and rotational motion is investigated. A dimensionless coupling constant is introduced which is found to increase with increasing time scale and decreasing temperature.

Original languageEnglish (US)
Pages (from-to)4514-4522
Number of pages9
JournalThe Journal of Chemical Physics
Volume110
Issue number9
StatePublished - Mar 1 1999
Externally publishedYes

Fingerprint

translational motion
Molecular dynamics
computerized simulation
Glass
glass
Computer simulation
propylene
carbonates
molecular dynamics
Temperature
simulation
temperature
propylene carbonate

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Dynamic heterogeneities of translational and rotational motion of a molecular glass former from computer simulations. / Qian, Jiang; Hentschke, R.; Heuer, A.

In: The Journal of Chemical Physics, Vol. 110, No. 9, 01.03.1999, p. 4514-4522.

Research output: Contribution to journalArticle

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