Information-theoretic measurements of coupling between structure and dynamics in glass formers.

By Robert L. Jack, Andrew J. Dunleavy, C. Royall. 2014

73 citations recorded by the source corpus.

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.

Subfields: Ceramics and Composites, Condensed Matter Physics, Materials Chemistry

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In Condensed Matter Physics

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Citations in the corpus

Models and Algorithms for the Next Generation of Glass Transition Studies (2017, result): “This ﬁnding, which agrees qualitatively with previous conclusions [81, 82], may also explain why the swap algorithm can be very eﬃcient, because if spatial correlations had a strong structural component, then a strong numerical acceleration would likely necessitate the introduction of a more…”
The role of local structure in dynamical arrest (2014, background): “The latter are strongly predictive of particle propensity at short times< τα [133], while LFS are correlated with the propensity at longer times ∼τα [133,306].”