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Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear
The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid is described by the Brownian multiparticle collision dynamic...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6523790/ https://www.ncbi.nlm.nih.gov/pubmed/31018564 http://dx.doi.org/10.3390/polym11040737 |
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author | Lamura, Antonio Winkler, Roland G. |
author_facet | Lamura, Antonio Winkler, Roland G. |
author_sort | Lamura, Antonio |
collection | PubMed |
description | The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid is described by the Brownian multiparticle collision dynamics approach. For small shear rates, the tethering of the ends leads to a more-or-less linear oscillatory response. However, at high shear rates, we found a strongly nonlinear reaction, with a polymer (partially) wrapped around the fixation points. This leads to an overall shrinkage of the polymer. Dynamically, the location probability of the polymer center-of-mass position is largest on a spatial curve resembling a limaçon, although with an inhomogeneous distribution. We found shear-induced modifications of the normal-mode correlation functions, with a frequency doubling at high shear rates. Interestingly, an even-odd asymmetry for the Cartesian components of the correlation functions appears, with rather similar spectra for odd x- and even y-modes and vice versa. Overall, our simulations yielded an intriguing nonlinear behavior of tethered semiflexible polymers under oscillatory shear flow. |
format | Online Article Text |
id | pubmed-6523790 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-65237902019-06-03 Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear Lamura, Antonio Winkler, Roland G. Polymers (Basel) Article The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid is described by the Brownian multiparticle collision dynamics approach. For small shear rates, the tethering of the ends leads to a more-or-less linear oscillatory response. However, at high shear rates, we found a strongly nonlinear reaction, with a polymer (partially) wrapped around the fixation points. This leads to an overall shrinkage of the polymer. Dynamically, the location probability of the polymer center-of-mass position is largest on a spatial curve resembling a limaçon, although with an inhomogeneous distribution. We found shear-induced modifications of the normal-mode correlation functions, with a frequency doubling at high shear rates. Interestingly, an even-odd asymmetry for the Cartesian components of the correlation functions appears, with rather similar spectra for odd x- and even y-modes and vice versa. Overall, our simulations yielded an intriguing nonlinear behavior of tethered semiflexible polymers under oscillatory shear flow. MDPI 2019-04-23 /pmc/articles/PMC6523790/ /pubmed/31018564 http://dx.doi.org/10.3390/polym11040737 Text en © 2019 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 Lamura, Antonio Winkler, Roland G. Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title | Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title_full | Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title_fullStr | Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title_full_unstemmed | Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title_short | Tethered Semiflexible Polymer under Large Amplitude Oscillatory Shear |
title_sort | tethered semiflexible polymer under large amplitude oscillatory shear |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6523790/ https://www.ncbi.nlm.nih.gov/pubmed/31018564 http://dx.doi.org/10.3390/polym11040737 |
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