A computer simulation study of a chiral active ring polymer

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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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-11-08
DOI
https://doi.org/10.1063/5.0232538
Citations
2
Primary Topic
Micro and Nano Robotics
Type
article
Field-Weighted Citation Impact
0.62
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article

A computer simulation study of a chiral active ring polymer

Shalabh K. Anand
2 citations
The Journal of Chemical Physics
Micro and Nano Robotics
0.62
article

A computer simulation study of a chiral active ring polymer

Shalabh K. Anand
article en
2 citations

Abstract

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.

The Journal of Chemical PhysicsVol. 161(18)
Imperial College London (GB)
Openalex Percentile: Top 32%
Micro and Nano Robotics
0.62
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A computer simulation study of a chiral active ring polymer — Shalabh K. Anand · The Journal of Chemical Physics (2024) | TGRS Research Map | TGRS