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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2015
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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). |
format | Online Article Text |
id | pubmed-4568462 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
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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