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Sunil P Singh

Publications and source records attributed to Sunil P Singh.

3 recordsLinked to original sources

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

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.

cond-mat.soft↗

Analytical Analysis of the Conformational and Rheological Properties of Flexible Active Polar Linear Polymers under Shear Flow

The conformational and rheological properties of active polar linear polymers (APLPs) under linear shear flow are studied analytically. We describe a discrete APLP as an inextensible flexible Gaussian bead-spring chain supplemented by active forces along the bonds. The linear, non-Hermitian equations of motion are solved by an eigenfunction expansion in terms of a biorthogonal basis set. The model reveals an intimate coupling between activity and shear flow, which implies activity-enhanced polymer conformational and rheological properties. Compared to a passive polymer, we find a significantly enhanced shrinkage transverse to the flow direction with increasing shear rate, with a power-law exponent $-4/3$, compared to the passive values of $-2/3$. This conformational change is tightly linked with a strongly amplified shear-thinning behavior, where the shear viscosity exhibits the same power law. The characteristic shear rate for the onset of these effects is determined by the activity. In the asymptotic limit of large activities, the shear-induced features become independent of activity and equal to those of passive polymers.

cond-mat.soft↗

Folding-unfolding transition of active polymer on the reconfiguration of bidirectional tangential active force

The role of active stress on the conformational dynamics of a polymer has drawn significant interest due to its potential applications in understanding the energy landscape of protein structures, buckling of biopolymers, genomic spatial organization, and their large scale coherent dynamics. We present a model of bidirectional active force that acts along the polymer's tangent, with its direction stochastically reversing between head to tail and tail to head orientations. The active polymer shows a structural transition from a random coil like state to a compressed state with variations in the active force, directional (polarity) reversal rate, and their fraction. Furthermore, the polymer re-swells and stretches more than its passive limit for a large active force. The polymer's radius of gyration follows the ideal chain-like scaling relation in both the compressed and swelled states. The bidirectional active force also drives dynamical transitions, where the effective diffusivity abruptly shifts from a linear to quadratic increase. Similarly, in the regime of large activity, the linear decrease of the longest relaxation time of the polymer changes to a power law behavior. We have shown that the active polymer's conformational, relaxation, and diffusive behaviors display a transition from an active polar linear polymer model (APLP) to an active Brownian particle (ABP) polymer model with the increase in the fraction of the opposite polarity and their reconfiguration time.

cond-mat.soft↗