Dynamic correlations and heterogeneity in the primary and secondary relaxations of a model molecular liquid

D. Fragiadakis and C. M. Roland
Phys. Rev. E 89, 052304 – Published 6 May 2014

Abstract

Molecular dynamics simulations were carried out on a series of Lennard-Jones binary mixtures of rigid, asymmetric, dumbbell-shaped molecules. Below an onset temperature, the rotational and translational dynamics split into the slow structural α relaxation and a higher-frequency Johari-Goldstein β relaxation. Both processes are dynamically heterogeneous, having broad distributions of relaxation times. However, only the α relaxation shows strong dynamic correlations; correlations at the β time scale are weak, in particular for molecules having shorter bonds. Despite the close connection between the two processes, we find no correlation between the α and β relaxation times of individual molecules; that is, a molecule exhibiting slow β motion does not necessarily undergo slow α dynamics and likewise for fast molecules. However, the single-molecule α relaxation times do correlate with both the α and β relaxation strengths.

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  • Received 6 February 2014

DOI:https://doi.org/10.1103/PhysRevE.89.052304

Published by the American Physical Society

Authors & Affiliations

D. Fragiadakis and C. M. Roland

  • Naval Research Laboratory, Chemistry Division, Code 6120, Washington, DC 20375-5342, USA

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Issue

Vol. 89, Iss. 5 — May 2014

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