Self-Avoidance Governs Re-entrant Coil-Globule Transition of Inertial Active Brownian Ring Polymers

Abstract

Active matter systems composed of self-propelled entities exhibit a wide range of out-of-equilibrium phase behaviors and collective dynamics. Assemblies of active particles, e.g., in a linear structure, are particularly interesting, as they exhibit an intriguing interplay between activity and geometrical restrictions due to self-avoidance and entanglements. Using Langevin dynamics simulations of an active Brownian ring polymer with translational and rotational inertia, we uncover an inertia-driven re-entrant coil-globule transition in the absence of any attractive interactions. We show that rotational inertia plays a paramount role, leading, in the globular state, to spontaneous, nonzero, radially outward polarization of the active forces. Self-avoidance and entanglements break the rotational symmetry of active beads and effectively stabilize the globular states. The transition becomes increasingly sharp with increasing rotational inertia, yielding highly compact globular conformations at intermediate activities, whereas at high activity the polymer re-expands into a coil state. Scaling of the radius of gyration reveals crossovers from self-avoiding, phantom-like to compact-globular structures. Further, rotational inertia enhances transport properties, with an intermediate activity-induced Rouse-type bead diffusion and a long-time diffusion coefficient displaying a power-law dependence on the moment of inertia. Our study establishes a purely inertia-induced mechanism for controlling the collapse of active polymers, arising from spontaneous active-force polarization and self-avoidance.