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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...

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Detalles Bibliográficos
Autores principales: Lamura, Antonio, Winkler, Roland G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
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.
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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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