Dynamics of an active chiral polymer in shear flow.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
A Gülce Bayram, Luca Biancofiore, Hartmut Löwen
{"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.

一种活性手性聚合物在剪切流动中的动力学。
我们通过在两个空间维度上使用单体解析布朗动力学模拟来探索线性剪切流中活性柔性聚合物链的复杂形成。手性头部单体是主动的和绕圈的,而所有其他单体都是被动的,跟随头部聚合物的运动和剪切流。通过结合活性、手性和剪切速率,发现了丰富的不同状态,包括形成线性/复杂折叠和具有头向内和头向外形态的螺旋状态。由于施加剪切的涡度与头部的旋感相竞争,整个配合物的手性可以通过活性来调节。我们的研究结果与表征活的和人工的手性活性聚合物链对复杂流场的响应有关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
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 Biological Molecules and Networks.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信