Fluctuation-induced forces between rings threaded around a polymer chain under tension

We characterize the fluctuation properties of a polymer chain under external tension and the fluctuation-induced forces between two ring molecules threaded around the chain. The problem is relevant in the context of fluctuation-induced forces in soft-matter systems, features of liquid interfaces, an...

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Detalles Bibliográficos
Autores: Gilles, Facundo Matías, Llubaroff, Romina, Pastorino, C.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2016
País:Argentina
Institución:Universidad Nacional de La Plata
Repositorio:SEDICI (UNLP)
Idioma:inglés
OAI Identifier:oai:sedici.unlp.edu.ar:10915/140223
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/140223
Access Level:acceso abierto
Palabra clave:Ciencias Exactas
Física
Química
polymer chain
Kremer-Grest bead-spring model
transverse fluctuations
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spelling Fluctuation-induced forces between rings threaded around a polymer chain under tensionGilles, Facundo MatíasLlubaroff, RominaPastorino, C.Ciencias ExactasFísicaQuímicapolymer chainKremer-Grest bead-spring modeltransverse fluctuationsWe characterize the fluctuation properties of a polymer chain under external tension and the fluctuation-induced forces between two ring molecules threaded around the chain. The problem is relevant in the context of fluctuation-induced forces in soft-matter systems, features of liquid interfaces, and to describe the properties of polyrotaxanes and slide-ring materials. We perform molecular-dynamics simulations of the Kremer-Grest bead-spring model for the polymer and a simple ring-molecule model in the canonical ensemble. We study transverse fluctuations of the stretched chain as a function of chain stretching and in the presence of ring-shaped threaded molecules. The fluctuation spectra of the chains are analyzed in equilibrium at constant temperature, and the differences in the presence of two-ring molecules are compared. For the rings located at fixed distances, we find an attractive fluctuation-induced force between the rings, proportional to the temperature and decaying with the ring distance. We characterize this force as a function of ring distance, chain stretching, and ring radius, and we measure the differences between the free chain spectrum and the fluctuations of the chain constrained by the rings. We also compare the dependence and range of the force found in the simulations with theoretical models coming from different fields.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2016-09-14info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf032503-032503http://sedici.unlp.edu.ar/handle/10915/140223enginfo:eu-repo/semantics/altIdentifier/issn/2470-0045info:eu-repo/semantics/altIdentifier/issn/2470-0053info:eu-repo/semantics/altIdentifier/doi/10.1103/physreve.94.032503info:eu-repo/semantics/altIdentifier/arxiv/1609.02017v1info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2024-05-08T13:10:31Zoai:sedici.unlp.edu.ar:10915/140223Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292024-05-08 13:10:31.546SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Fluctuation-induced forces between rings threaded around a polymer chain under tension
title Fluctuation-induced forces between rings threaded around a polymer chain under tension
spellingShingle Fluctuation-induced forces between rings threaded around a polymer chain under tension
Gilles, Facundo Matías
Ciencias Exactas
Física
Química
polymer chain
Kremer-Grest bead-spring model
transverse fluctuations
title_short Fluctuation-induced forces between rings threaded around a polymer chain under tension
title_full Fluctuation-induced forces between rings threaded around a polymer chain under tension
title_fullStr Fluctuation-induced forces between rings threaded around a polymer chain under tension
title_full_unstemmed Fluctuation-induced forces between rings threaded around a polymer chain under tension
title_sort Fluctuation-induced forces between rings threaded around a polymer chain under tension
dc.creator.none.fl_str_mv Gilles, Facundo Matías
Llubaroff, Romina
Pastorino, C.
author Gilles, Facundo Matías
author_facet Gilles, Facundo Matías
Llubaroff, Romina
Pastorino, C.
author_role author
author2 Llubaroff, Romina
Pastorino, C.
author2_role author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Física
Química
polymer chain
Kremer-Grest bead-spring model
transverse fluctuations
topic Ciencias Exactas
Física
Química
polymer chain
Kremer-Grest bead-spring model
transverse fluctuations
description We characterize the fluctuation properties of a polymer chain under external tension and the fluctuation-induced forces between two ring molecules threaded around the chain. The problem is relevant in the context of fluctuation-induced forces in soft-matter systems, features of liquid interfaces, and to describe the properties of polyrotaxanes and slide-ring materials. We perform molecular-dynamics simulations of the Kremer-Grest bead-spring model for the polymer and a simple ring-molecule model in the canonical ensemble. We study transverse fluctuations of the stretched chain as a function of chain stretching and in the presence of ring-shaped threaded molecules. The fluctuation spectra of the chains are analyzed in equilibrium at constant temperature, and the differences in the presence of two-ring molecules are compared. For the rings located at fixed distances, we find an attractive fluctuation-induced force between the rings, proportional to the temperature and decaying with the ring distance. We characterize this force as a function of ring distance, chain stretching, and ring radius, and we measure the differences between the free chain spectrum and the fluctuations of the chain constrained by the rings. We also compare the dependence and range of the force found in the simulations with theoretical models coming from different fields.
publishDate 2016
dc.date.none.fl_str_mv 2016-09-14
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/140223
url http://sedici.unlp.edu.ar/handle/10915/140223
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/2470-0045
info:eu-repo/semantics/altIdentifier/issn/2470-0053
info:eu-repo/semantics/altIdentifier/doi/10.1103/physreve.94.032503
info:eu-repo/semantics/altIdentifier/arxiv/1609.02017v1
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
032503-032503
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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