Information-Theoretic Measurements of Coupling between Structure and Dynamics in Glass Formers

Robert L. Jack, Andrew J. Dunleavy, and C. Patrick Royall
Phys. Rev. Lett. 113, 095703 – Published 28 August 2014
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Abstract

We analyze connections between structure and dynamics in two model glass formers, using the mutual information between an initial configuration and the ensuing dynamics to compare the predictive value of different structural observables. We consider the predictive power of normal modes, locally favored structures, and coarse-grained measurements of local energy and density. The mutual information allows the influence of the liquid structure on the dynamics to be analyzed quantitatively as a function of time, showing that normal modes give the most useful predictions on short time scales while local energy and density are most strongly predictive at long times.

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  • Received 28 February 2014

DOI:https://doi.org/10.1103/PhysRevLett.113.095703

© 2014 American Physical Society

Authors & Affiliations

Robert L. Jack1, Andrew J. Dunleavy2,3,4, and C. Patrick Royall2,3,5

  • 1Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom
  • 2HH Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, United Kingdom
  • 3School of Chemistry, University of Bristol, Cantock Close, Bristol BS8 1TS, United Kingdom
  • 4Bristol Centre for Complexity Sciences, Bristol BS8 1TW, United Kingdom
  • 5Centre for Nanoscience and Quantum Information, Tyndall Avenue, Bristol BS8 1FD, United Kingdom

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Issue

Vol. 113, Iss. 9 — 29 August 2014

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