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Non-Markovian Methods in Glass Transition

A model for the heterogeneity of local dynamics in polymer and other glass-forming materials is provided here. The fundamental characteristics of the glass transition phenomenology emerge when simulating a condensed matter open cluster that has a strong interaction with its heterogeneous environment...

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Detalles Bibliográficos
Autores principales: Torregrosa Cabanilles, Constantino, Molina-Mateo, José, Sabater i Serra, Roser, Meseguer-Dueñas, José María, Gómez Ribelles, José Luis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7565281/
https://www.ncbi.nlm.nih.gov/pubmed/32887333
http://dx.doi.org/10.3390/polym12091997
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author Torregrosa Cabanilles, Constantino
Molina-Mateo, José
Sabater i Serra, Roser
Meseguer-Dueñas, José María
Gómez Ribelles, José Luis
author_facet Torregrosa Cabanilles, Constantino
Molina-Mateo, José
Sabater i Serra, Roser
Meseguer-Dueñas, José María
Gómez Ribelles, José Luis
author_sort Torregrosa Cabanilles, Constantino
collection PubMed
description A model for the heterogeneity of local dynamics in polymer and other glass-forming materials is provided here. The fundamental characteristics of the glass transition phenomenology emerge when simulating a condensed matter open cluster that has a strong interaction with its heterogeneous environment. General glass transition features, such as non-exponential structural relaxations, the slowing down of relaxation times with temperature and specific off-equilibrium glassy dynamics can be reproduced by non-Markovian dynamics simulations with the minimum computer resources. Non-Markovian models are shown to be useful tools for obtaining insights into the complex dynamics involved in the glass transition phenomenon, including whether or not there is a need for a growing correlation length or the relationship between the non-exponentiality of structural relaxations and dynamic heterogeneity.
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spelling pubmed-75652812020-10-26 Non-Markovian Methods in Glass Transition Torregrosa Cabanilles, Constantino Molina-Mateo, José Sabater i Serra, Roser Meseguer-Dueñas, José María Gómez Ribelles, José Luis Polymers (Basel) Article A model for the heterogeneity of local dynamics in polymer and other glass-forming materials is provided here. The fundamental characteristics of the glass transition phenomenology emerge when simulating a condensed matter open cluster that has a strong interaction with its heterogeneous environment. General glass transition features, such as non-exponential structural relaxations, the slowing down of relaxation times with temperature and specific off-equilibrium glassy dynamics can be reproduced by non-Markovian dynamics simulations with the minimum computer resources. Non-Markovian models are shown to be useful tools for obtaining insights into the complex dynamics involved in the glass transition phenomenon, including whether or not there is a need for a growing correlation length or the relationship between the non-exponentiality of structural relaxations and dynamic heterogeneity. MDPI 2020-09-02 /pmc/articles/PMC7565281/ /pubmed/32887333 http://dx.doi.org/10.3390/polym12091997 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Torregrosa Cabanilles, Constantino
Molina-Mateo, José
Sabater i Serra, Roser
Meseguer-Dueñas, José María
Gómez Ribelles, José Luis
Non-Markovian Methods in Glass Transition
title Non-Markovian Methods in Glass Transition
title_full Non-Markovian Methods in Glass Transition
title_fullStr Non-Markovian Methods in Glass Transition
title_full_unstemmed Non-Markovian Methods in Glass Transition
title_short Non-Markovian Methods in Glass Transition
title_sort non-markovian methods in glass transition
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7565281/
https://www.ncbi.nlm.nih.gov/pubmed/32887333
http://dx.doi.org/10.3390/polym12091997
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