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Supercoiled ring polymers under shear flow

Publications: Contribution to journalArticlePeer Reviewed

Abstract

We apply monomer-resolved computer simulations of supercoiled ring polymers under shear, taking full account of the hydrodynamic interactions, accompanied, in parallel, by simulations in which these are switched off. The combination of bending and torsional rigidities inherent in these polymers, in conjunction with hydrodynamics, has a profound impact on their flow properties. In contrast to their flexible counterparts, which dramatically deform and inflate under shear [Liebetreu et al., Commun. Mater. 2020, 1, 4], supercoiled rings undergo only weak changes in their overall shape and they display both a reduced propensity to tumbling (at fixed Weissenberg number) and a much stronger orientational resistance with respect to their flexible counterparts. In the presence of hydrodynamic interactions, the coupling of the polymer to solvent flow is capable of bringing about a topological transformation of writhe to twist at strong shear upon conservation of the overall linking number.
Original languageEnglish
Pages (from-to)8880-8899
Number of pages20
JournalNanoscale
Volume16
Issue number18
Early online date28 Mar 2024
DOIs
Publication statusPublished - 14 May 2024

Funding

We acknowledge support from the European Union (Horizon-MSCA-Doctoral Networks) through the project QLUSTER (HORIZON-MSCA-2021-DN-01-GA101072964). The computations leading to the results of this work have been carried out in part at the Vienna Scientific Cluster (VSC).

Austrian Fields of Science 2012

  • 103015 Condensed matter

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