Obstruction enhances the diffusivity of self-propelled rod-like particles

TL;DR

This study demonstrates that the presence of obstacles can unexpectedly increase the diffusion of self-propelled rod-like particles, influenced by propelling force and particle shape, with implications for understanding transport in complex environments.

Contribution

It reveals how obstacle density can enhance particle diffusivity through a combined effect of self-propulsion and particle anisotropy, supported by theoretical and simulation analysis.

Findings

Diffusion coefficient varies non-monotonically with obstacle density.

Obstacle crowd can enhance diffusivity depending on force and shape.

Theoretical and simulation results agree on diffusion behavior regions.

Abstract

Diffusion of self-propelled particles in the presence of randomly distributed obstacles in three dimensions is studied using molecular dynamics simulations. It is found that depending on the magnitude of the propelling force and the particle aspect ratio, the diffusion coefficient can be a monotonically decreasing or a non-monotonic concave function of the obstructed volume fraction. Counterintuitive enhancement of the particle diffusivity with increasing the obstacles crowd is shown to be a combinatory effect of the self-propelling force and the anisotropy in the shape of the particle. Regions corresponding to monotonic and non-monotonic dependence of the particle diffusivity on the obstacle density in propelling force-aspect ratio plane are specified theoretically and using the simulation results.