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Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling

To solve a long-standing problem of condensed matter physics with determining a proper description of the thermodynamic evolution of the time scale of molecular dynamics near the glass transition, we have extended the well-known Adam-Gibbs model to describe the temperature-volume dependence of struc...

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Autores principales: Masiewicz, Elżbieta, Grzybowski, Andrzej, Grzybowska, Katarzyna, Pawlus, Sebastian, Pionteck, Jürgen, Paluch, Marian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4568462/
https://www.ncbi.nlm.nih.gov/pubmed/26365623
http://dx.doi.org/10.1038/srep13998
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author Masiewicz, Elżbieta
Grzybowski, Andrzej
Grzybowska, Katarzyna
Pawlus, Sebastian
Pionteck, Jürgen
Paluch, Marian
author_facet Masiewicz, Elżbieta
Grzybowski, Andrzej
Grzybowska, Katarzyna
Pawlus, Sebastian
Pionteck, Jürgen
Paluch, Marian
author_sort Masiewicz, Elżbieta
collection PubMed
description To solve a long-standing problem of condensed matter physics with determining a proper description of the thermodynamic evolution of the time scale of molecular dynamics near the glass transition, we have extended the well-known Adam-Gibbs model to describe the temperature-volume dependence of structural relaxation times, τ(α)(T, V). We also employ the thermodynamic scaling idea reflected in the density scaling power law, τ(α) = f(T(−1)V(−γ)), recently acknowledged as a valid unifying concept in the glass transition physics, to differentiate between physically relevant and irrelevant attempts at formulating the temperature-volume representations of the Adam-Gibbs model. As a consequence, we determine a straightforward relation between the structural relaxation time τ(α) and the configurational entropy S(C), giving evidence that also S(C)(T, V) = g(T(−1)V(−γ)) with the exponent γ that enables to scale τ(α)(T, V). This important findings have meaningful implications for the connection between thermodynamics and molecular dynamics near the glass transition, because it implies that τ(α) can be scaled with S(C).
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spelling pubmed-45684622015-09-23 Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling Masiewicz, Elżbieta Grzybowski, Andrzej Grzybowska, Katarzyna Pawlus, Sebastian Pionteck, Jürgen Paluch, Marian Sci Rep Article To solve a long-standing problem of condensed matter physics with determining a proper description of the thermodynamic evolution of the time scale of molecular dynamics near the glass transition, we have extended the well-known Adam-Gibbs model to describe the temperature-volume dependence of structural relaxation times, τ(α)(T, V). We also employ the thermodynamic scaling idea reflected in the density scaling power law, τ(α) = f(T(−1)V(−γ)), recently acknowledged as a valid unifying concept in the glass transition physics, to differentiate between physically relevant and irrelevant attempts at formulating the temperature-volume representations of the Adam-Gibbs model. As a consequence, we determine a straightforward relation between the structural relaxation time τ(α) and the configurational entropy S(C), giving evidence that also S(C)(T, V) = g(T(−1)V(−γ)) with the exponent γ that enables to scale τ(α)(T, V). This important findings have meaningful implications for the connection between thermodynamics and molecular dynamics near the glass transition, because it implies that τ(α) can be scaled with S(C). Nature Publishing Group 2015-09-14 /pmc/articles/PMC4568462/ /pubmed/26365623 http://dx.doi.org/10.1038/srep13998 Text en Copyright © 2015, Macmillan Publishers Limited 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
Masiewicz, Elżbieta
Grzybowski, Andrzej
Grzybowska, Katarzyna
Pawlus, Sebastian
Pionteck, Jürgen
Paluch, Marian
Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title_full Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title_fullStr Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title_full_unstemmed Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title_short Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling
title_sort adam-gibbs model in the density scaling regime and its implications for the configurational entropy scaling
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4568462/
https://www.ncbi.nlm.nih.gov/pubmed/26365623
http://dx.doi.org/10.1038/srep13998
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