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Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains
We study Monte Carlo dynamics of the monomers and center of mass of a model polymer chain functionalized with azobenzene molecules in the presence of an inhomogeneous linearly polarized laser light. The simulations use a generalized Bond Fluctuation Model. The mean squared displacements of the monom...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10304154/ https://www.ncbi.nlm.nih.gov/pubmed/37374556 http://dx.doi.org/10.3390/ma16124373 |
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author | Pawlik, Grzegorz Mitus, Antoni C. |
author_facet | Pawlik, Grzegorz Mitus, Antoni C. |
author_sort | Pawlik, Grzegorz |
collection | PubMed |
description | We study Monte Carlo dynamics of the monomers and center of mass of a model polymer chain functionalized with azobenzene molecules in the presence of an inhomogeneous linearly polarized laser light. The simulations use a generalized Bond Fluctuation Model. The mean squared displacements of the monomers and the center of mass are analyzed in a period of Monte Carlo time typical for a build-up of Surface Relief Grating. Approximate scaling laws for mean squared displacements are found and interpreted in terms of sub- and superdiffusive dynamics for the monomers and center of mass. A counterintuitive effect is observed, where the monomers perform subdiffusive motion but the resulting motion of the center of mass is superdiffusive. This result disparages theoretical approaches based on an assumption that the dynamics of single monomers in a chain can be characterized in terms of independent identically distributed random variables. |
format | Online Article Text |
id | pubmed-10304154 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-103041542023-06-29 Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains Pawlik, Grzegorz Mitus, Antoni C. Materials (Basel) Article We study Monte Carlo dynamics of the monomers and center of mass of a model polymer chain functionalized with azobenzene molecules in the presence of an inhomogeneous linearly polarized laser light. The simulations use a generalized Bond Fluctuation Model. The mean squared displacements of the monomers and the center of mass are analyzed in a period of Monte Carlo time typical for a build-up of Surface Relief Grating. Approximate scaling laws for mean squared displacements are found and interpreted in terms of sub- and superdiffusive dynamics for the monomers and center of mass. A counterintuitive effect is observed, where the monomers perform subdiffusive motion but the resulting motion of the center of mass is superdiffusive. This result disparages theoretical approaches based on an assumption that the dynamics of single monomers in a chain can be characterized in terms of independent identically distributed random variables. MDPI 2023-06-14 /pmc/articles/PMC10304154/ /pubmed/37374556 http://dx.doi.org/10.3390/ma16124373 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/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 (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Pawlik, Grzegorz Mitus, Antoni C. Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title | Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title_full | Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title_fullStr | Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title_full_unstemmed | Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title_short | Complex Monte Carlo Light-Driven Dynamics of Monomers in Functionalized Bond Fluctuation Model Polymer Chains |
title_sort | complex monte carlo light-driven dynamics of monomers in functionalized bond fluctuation model polymer chains |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10304154/ https://www.ncbi.nlm.nih.gov/pubmed/37374556 http://dx.doi.org/10.3390/ma16124373 |
work_keys_str_mv | AT pawlikgrzegorz complexmontecarlolightdrivendynamicsofmonomersinfunctionalizedbondfluctuationmodelpolymerchains AT mitusantonic complexmontecarlolightdrivendynamicsofmonomersinfunctionalizedbondfluctuationmodelpolymerchains |