Projects of affiliated persons per year
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 language | English |
|---|---|
| Pages (from-to) | 8880-8899 |
| Number of pages | 20 |
| Journal | Nanoscale |
| Volume | 16 |
| Issue number | 18 |
| Early online date | 28 Mar 2024 |
| DOIs | |
| Publication status | Published - 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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- 1 Active
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QLUSTER: Quantum and Classical Ultrasoft Matter
Likos, C. (Project Lead)
1/01/23 → 31/12/26
Project: Research funding
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