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Mutual information reveals multiple structural relaxation mechanisms in a model glass former

Among the key challenges to our understanding of solidification in the glass transition is that it is accompanied by little apparent change in structure. Recently, geometric motifs have been identified in glassy liquids, but a causal link between these motifs and solidification remains elusive. One...

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Autores principales: Dunleavy, Andrew J., Wiesner, Karoline, Yamamoto, Ryoichi, Royall, C. Patrick
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Pub. Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4354007/
https://www.ncbi.nlm.nih.gov/pubmed/25608791
http://dx.doi.org/10.1038/ncomms7089
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author Dunleavy, Andrew J.
Wiesner, Karoline
Yamamoto, Ryoichi
Royall, C. Patrick
author_facet Dunleavy, Andrew J.
Wiesner, Karoline
Yamamoto, Ryoichi
Royall, C. Patrick
author_sort Dunleavy, Andrew J.
collection PubMed
description Among the key challenges to our understanding of solidification in the glass transition is that it is accompanied by little apparent change in structure. Recently, geometric motifs have been identified in glassy liquids, but a causal link between these motifs and solidification remains elusive. One ‘smoking gun’ for such a link would be identical scaling of structural and dynamic lengthscales on approaching the glass transition, but this is highly controversial. Here we introduce an information theoretic approach to determine correlations in displacement for particle relaxation encoded in the initial configuration of a glass-forming liquid. We uncover two populations of particles, one inclined to relax quickly, the other slowly. Each population is correlated with local density and geometric motifs. Our analysis further reveals a dynamic lengthscale similar to that associated with structural properties, which may resolve the discrepancy between structural and dynamic lengthscales.
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spelling pubmed-43540072015-03-20 Mutual information reveals multiple structural relaxation mechanisms in a model glass former Dunleavy, Andrew J. Wiesner, Karoline Yamamoto, Ryoichi Royall, C. Patrick Nat Commun Article Among the key challenges to our understanding of solidification in the glass transition is that it is accompanied by little apparent change in structure. Recently, geometric motifs have been identified in glassy liquids, but a causal link between these motifs and solidification remains elusive. One ‘smoking gun’ for such a link would be identical scaling of structural and dynamic lengthscales on approaching the glass transition, but this is highly controversial. Here we introduce an information theoretic approach to determine correlations in displacement for particle relaxation encoded in the initial configuration of a glass-forming liquid. We uncover two populations of particles, one inclined to relax quickly, the other slowly. Each population is correlated with local density and geometric motifs. Our analysis further reveals a dynamic lengthscale similar to that associated with structural properties, which may resolve the discrepancy between structural and dynamic lengthscales. Nature Pub. Group 2015-01-22 /pmc/articles/PMC4354007/ /pubmed/25608791 http://dx.doi.org/10.1038/ncomms7089 Text en Copyright © 2015, Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved. http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Dunleavy, Andrew J.
Wiesner, Karoline
Yamamoto, Ryoichi
Royall, C. Patrick
Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title_full Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title_fullStr Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title_full_unstemmed Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title_short Mutual information reveals multiple structural relaxation mechanisms in a model glass former
title_sort mutual information reveals multiple structural relaxation mechanisms in a model glass former
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4354007/
https://www.ncbi.nlm.nih.gov/pubmed/25608791
http://dx.doi.org/10.1038/ncomms7089
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