{"title":"Dynamics of an active chiral polymer in shear flow.","authors":"A Gülce Bayram, Luca Biancofiore, Hartmut Löwen","doi":"10.1063/5.0268723","DOIUrl":null,"url":null,"abstract":"<p><p>We explore the complex formation of an active flexible polymer chain in linear shear flow by using monomer-resolved Brownian dynamics simulations in two spatial dimensions. The chiral head monomer is active and circling, while all other monomers are passive, following both the motion of the head polymer and the shear flow. By the combination of activity, chirality, and shear rate, a wealth of different states are found, including the formation of a linear/complex folding and a spiraling state with both head-in and head-out morphologies. As the vorticity of the applied shear competes with the circling sense of the head, the chirality of the whole complex can be tuned by activity. Our results are relevant to characterize the response of living and artificial chiral active polymer chains to complex flow fields.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 17","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0268723","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
We explore the complex formation of an active flexible polymer chain in linear shear flow by using monomer-resolved Brownian dynamics simulations in two spatial dimensions. The chiral head monomer is active and circling, while all other monomers are passive, following both the motion of the head polymer and the shear flow. By the combination of activity, chirality, and shear rate, a wealth of different states are found, including the formation of a linear/complex folding and a spiraling state with both head-in and head-out morphologies. As the vorticity of the applied shear competes with the circling sense of the head, the chirality of the whole complex can be tuned by activity. Our results are relevant to characterize the response of living and artificial chiral active polymer chains to complex flow fields.
期刊介绍:
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
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