A computer simulation study of a chiral active ring polymer.

Area of Science:

• Soft Matter Physics
• Polymer Physics
• Computational Biophysics

Background:

• Active matter systems exhibit self-propulsion, leading to unique collective behaviors.
• Ring polymers present distinct conformational properties compared to linear chains.
• Chirality introduces handedness, influencing molecular interactions and dynamics.

Purpose of the Study:

• To investigate the influence of chiral active Brownian forces on 2D ring polymer dynamics.
• To characterize the conformational changes and motion of active Brownian rings.
• To elucidate the role of chirality in polymer shrinkage and dynamics.

Main Methods:

• Coarse-grained computer simulations were employed.
• Analysis included radius of gyration, inter-monomer distances, and radial distribution functions.
• Diameter correlation functions and mean squared displacement were used to study motion.

Main Results:

• A non-monotonic radius of gyration was observed as a function of active force.
• Chiral forces enhanced ring shrinkage, particularly at intermediate force strengths.
• Chirality induced local monomer folding, and a power-law relationship (exponent 3/2) was found between tank-treading frequency and active force.

Conclusions:

• Chiral active forces significantly alter ring polymer behavior, promoting shrinkage and local folding.
• The observed dynamics, including tank-treading motion, are strongly influenced by the interplay of activity and chirality.
• Simulation results provide insights into the fundamental physics of active polymers in confined geometries.