Characteristic features of self-avoiding active Brownian polymers under linear shear flow

We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical properties, such as the stretching in the flow direction...

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Veröffentlicht in:Soft matter 2023-11, Vol.19 (44), p.8577-8586
Hauptverfasser: Panda, Arindam, Winkler, Roland G, Singh, Sunil P
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Sprache:eng
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Zusammenfassung:We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical properties, such as the stretching in the flow direction and compression in the gradient direction, shear-induced alignment, and shear viscosity. In the asymptotic limit of large activities and shear rates, the power-law scaling exponents of these quantities differ significantly from those of passive polymers. The chain's shear-induced stretching at a given shear rate is reduced by active noise, and it displays a non-monotonic behavior, where an initial polymer compression is followed by its stretching with increasing active force. The compression of the polymer in the gradient direction follows the relation ∼Wi Pe −3/4 as a function of the activity-dependent Weissenberg number Wi Pe , which differs from the scaling observed in passive systems ∼Wi Pe −1/2 . The flow-induced alignment at large Péclet numbers Pe > 1, where Pe is the Péclet number, and large shear rates Wi Pe > 1 displays the scaling behavior Wi Pe −1/2 , with an exponent differing from the passive value −1/3. Furthermore, the polymer's zero-shear viscosity displays a non-monotonic behavior, decreasing in an intermediate activity regime due to excluded-volume interactions and increasing again for large Pe. Shear thinning appears with increasing Weissenberg number with the power-laws Wi Pe −1/2 and Wi Pe −3/4 for passive and active polymers, respectively. In addition, our simulation results are compared with the results of an analytical approach, which predicts quantitatively similar behaviors for the various aforementioned physical quantities. We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise.
ISSN:1744-683X
1744-6848
DOI:10.1039/d3sm01334k