{"title":"振荡线性流下的系链柔性聚合物","authors":"A. Lamura","doi":"10.1016/j.apnum.2024.07.009","DOIUrl":null,"url":null,"abstract":"<div><p>The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as a bead-spring chain immersed in a fluid described by the Brownian multiparticle collision dynamics. At high strain, the polymer is stretched along the flow direction following the applied flow, then recoils at flow inversion before flipping and elongate again. When strain is reduced, it may happen that the chain recoils without flipping when the applied shear changes sign. Conformations are analyzed and compared to stiff polymers revealing more compact patterns at low strains and less stretched configurations at high strain. The dynamics is investigated by looking at the center-of-mass motion which shows a frequency doubling along the direction normal to the external flow. The center-of-mass correlation function is characterized by smaller amplitudes when reducing bending rigidity.</p></div>","PeriodicalId":8199,"journal":{"name":"Applied Numerical Mathematics","volume":"205 ","pages":"Pages 206-214"},"PeriodicalIF":2.2000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Tethered flexible polymer under oscillatory linear flow\",\"authors\":\"A. Lamura\",\"doi\":\"10.1016/j.apnum.2024.07.009\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as a bead-spring chain immersed in a fluid described by the Brownian multiparticle collision dynamics. At high strain, the polymer is stretched along the flow direction following the applied flow, then recoils at flow inversion before flipping and elongate again. When strain is reduced, it may happen that the chain recoils without flipping when the applied shear changes sign. Conformations are analyzed and compared to stiff polymers revealing more compact patterns at low strains and less stretched configurations at high strain. The dynamics is investigated by looking at the center-of-mass motion which shows a frequency doubling along the direction normal to the external flow. The center-of-mass correlation function is characterized by smaller amplitudes when reducing bending rigidity.</p></div>\",\"PeriodicalId\":8199,\"journal\":{\"name\":\"Applied Numerical Mathematics\",\"volume\":\"205 \",\"pages\":\"Pages 206-214\"},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Numerical Mathematics\",\"FirstCategoryId\":\"100\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0168927424001879\",\"RegionNum\":2,\"RegionCategory\":\"数学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATHEMATICS, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Numerical Mathematics","FirstCategoryId":"100","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0168927424001879","RegionNum":2,"RegionCategory":"数学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATHEMATICS, APPLIED","Score":null,"Total":0}
Tethered flexible polymer under oscillatory linear flow
The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as a bead-spring chain immersed in a fluid described by the Brownian multiparticle collision dynamics. At high strain, the polymer is stretched along the flow direction following the applied flow, then recoils at flow inversion before flipping and elongate again. When strain is reduced, it may happen that the chain recoils without flipping when the applied shear changes sign. Conformations are analyzed and compared to stiff polymers revealing more compact patterns at low strains and less stretched configurations at high strain. The dynamics is investigated by looking at the center-of-mass motion which shows a frequency doubling along the direction normal to the external flow. The center-of-mass correlation function is characterized by smaller amplitudes when reducing bending rigidity.
期刊介绍:
The purpose of the journal is to provide a forum for the publication of high quality research and tutorial papers in computational mathematics. In addition to the traditional issues and problems in numerical analysis, the journal also publishes papers describing relevant applications in such fields as physics, fluid dynamics, engineering and other branches of applied science with a computational mathematics component. The journal strives to be flexible in the type of papers it publishes and their format. Equally desirable are:
(i) Full papers, which should be complete and relatively self-contained original contributions with an introduction that can be understood by the broad computational mathematics community. Both rigorous and heuristic styles are acceptable. Of particular interest are papers about new areas of research, in which other than strictly mathematical arguments may be important in establishing a basis for further developments.
(ii) Tutorial review papers, covering some of the important issues in Numerical Mathematics, Scientific Computing and their Applications. The journal will occasionally publish contributions which are larger than the usual format for regular papers.
(iii) Short notes, which present specific new results and techniques in a brief communication.