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Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear

We examine the influence of steady shear on structural relaxation in a simulated coarse-grained unentangled polymer melt over a wide range of temperature and shear rates. Shear is found to progressively suppress the α-relaxation process observed in the intermediate scattering function, leading ultim...

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Autores principales: Giuntoli, Andrea, Puosi, Francesco, Leporini, Dino, Starr, Francis W., Douglas, Jack F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7182423/
https://www.ncbi.nlm.nih.gov/pubmed/32494635
http://dx.doi.org/10.1126/sciadv.aaz0777
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author Giuntoli, Andrea
Puosi, Francesco
Leporini, Dino
Starr, Francis W.
Douglas, Jack F.
author_facet Giuntoli, Andrea
Puosi, Francesco
Leporini, Dino
Starr, Francis W.
Douglas, Jack F.
author_sort Giuntoli, Andrea
collection PubMed
description We examine the influence of steady shear on structural relaxation in a simulated coarse-grained unentangled polymer melt over a wide range of temperature and shear rates. Shear is found to progressively suppress the α-relaxation process observed in the intermediate scattering function, leading ultimately to a purely inertially dominated β-relaxation at high shear rates, a trend similar to increasing temperature. On the basis of a scaling argument emphasizing dynamic heterogeneity in cooled liquids and its alteration under material deformation, we deduce and validate a parameter-free scaling relation for both the structural relaxation time τ(α) from the intermediate scattering function and the “stretching exponent” β quantifying the extent of dynamic heterogeneity over the entire range of temperatures and shear rates that we can simulate.
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spelling pubmed-71824232020-06-02 Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear Giuntoli, Andrea Puosi, Francesco Leporini, Dino Starr, Francis W. Douglas, Jack F. Sci Adv Research Articles We examine the influence of steady shear on structural relaxation in a simulated coarse-grained unentangled polymer melt over a wide range of temperature and shear rates. Shear is found to progressively suppress the α-relaxation process observed in the intermediate scattering function, leading ultimately to a purely inertially dominated β-relaxation at high shear rates, a trend similar to increasing temperature. On the basis of a scaling argument emphasizing dynamic heterogeneity in cooled liquids and its alteration under material deformation, we deduce and validate a parameter-free scaling relation for both the structural relaxation time τ(α) from the intermediate scattering function and the “stretching exponent” β quantifying the extent of dynamic heterogeneity over the entire range of temperatures and shear rates that we can simulate. American Association for the Advancement of Science 2020-04-24 /pmc/articles/PMC7182423/ /pubmed/32494635 http://dx.doi.org/10.1126/sciadv.aaz0777 Text en Copyright © 2020 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC). http://creativecommons.org/licenses/by-nc/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license (http://creativecommons.org/licenses/by-nc/4.0/) , which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.
spellingShingle Research Articles
Giuntoli, Andrea
Puosi, Francesco
Leporini, Dino
Starr, Francis W.
Douglas, Jack F.
Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title_full Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title_fullStr Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title_full_unstemmed Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title_short Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
title_sort predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
topic Research Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7182423/
https://www.ncbi.nlm.nih.gov/pubmed/32494635
http://dx.doi.org/10.1126/sciadv.aaz0777
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