Active Diffusion of Self-Propelled Particles in Semi-Flexible Polymer Networks

Abstract

Mesh-like structures, such as mucus gel or cytoskeleton networks, are ubiquitous in biological systems. These intricate structures are composed of cross-linked, semi-flexible bio-filaments, crucial to numerous biological processes. In many biological systems, active self-propelled particles like motor proteins or bacteria navigate these intricate polymer networks. In this study, we develop a computational model of three-dimensional cubic-topological, swollen polymer networks of semi-flexible filaments. We perform Langevin dynamics simulations to investigate the diffusion of active tracer particles navigating through these networks. By analyzing various physical observables, we investigate the effects of mesh-to-particle size ratio, Péclet number of active particles, and bending stiffness of the polymer networks upon active trapped-and-hopping diffusion of the tracer. When the tracer size is equal to or larger than the mesh size, the polymer stiffness substantially enhances trapping while suppressing the hopping process. Notably, the mean trapped time exhibits an exponential growth law to the bending stiffness with an activity-dependent slope. An analytic theory based on the mean first-passage time of active particles in a harmonic potential is developed. Our findings deepen the comprehension of the intricate interplay between the polymer's bending stiffness, tracer size, and the activity of tracer particles. This knowledge can shed light on important biological processes, such as motor-driven cargo transport or drug delivery, which hinge on the behavior of active particles within biological gels.