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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...

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Autores principales: Pawlik, Grzegorz, Mitus, Antoni C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
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.
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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
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