A computer simulation study of a chiral active ring polymer.

J Chem Phys

Department of Bioengineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom and Department of Mathematics, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.

Published: November 2024

We investigate a ring polymer under the influence of chiral active Brownian forces in two dimensions using coarse-grained computer simulations. We observe a non-monotonic behavior of the radius of gyration of an active Brownian ring as a function of active force. However, the shrinkage of the ring in the intermediate strength of active forces becomes more pronounced in the presence of chiral active forces, and the shrinkage is monotonic at a given activity level as a function of the angular frequency controlling the direction of the active force. The distribution of radius of gyration, inter-monomer distance, and radial distribution suggest that the monomers come close to each other, eventually leading to the shrinkage of the ring. Moreover, the bond-correlation suggests that the chirality introduces a local folding of the monomers. Furthermore, using the diameter correlation function, we show that the ring performs tank-treading motion with a frequency following power-law relation with active force with exponent 3/2. The mean squared displacement of the monomers further assists the tank-treading dynamics by exhibiting oscillatory behavior.

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Source
http://dx.doi.org/10.1063/5.0232538DOI Listing

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