Dynamics of self-propelled tracer particles inside a polymer network

Abstract

Transport of tracer particles through mesh-like environments such as biological hydrogels and polymer matrices is ubiquitous in nature. These tracers could be passive, such as colloids or active (self-propelled), such as synthetic nanomotors or bacteria. Computer simulations in principle should be extremely useful in exploring the mechanism of active (self-propelled) transport of tracer particles through the mesh-like environments. Therefore, we construct a polymer network on a diamond lattice and use computer simulations to investigate the dynamics of spherical self-propelled particles inside the network. Our main objective is to elucidate the effect of the self-propulsion on the dynamics of the tracer particle as a function of tracer size and stiffness of the polymer network. We compute the time-averaged mean-squared displacement (MSD) and the van-Hove correlations of the tracer. On one hand, in the case of the bigger sticky particle, caging caused by the network particles wins over the escape assisted by the self-propulsion. This results intermediate-time subdiffusion. On the other hand, smaller tracers or tracers with high self-propulsion velocities can easily escape from the cages and show intermediate-time superdiffusion. Stiffer the network, slower the dynamics of the tracer, and the bigger tracers exhibit longer lived intermediate time superdiffusion, as the persistence time scales as $\sim {\sigma }^3$, where $\sigma$ is the diameter of the tracer. In intermediate time, non-Gaussianity is more pronounced for active tracers. In the long time, the dynamics of the tracer, if passive or weakly active, becomes Gaussian and diffusive, but remains flat for tracers with high self-propulsion, accounting for their seemingly unrestricted motion inside the network.

arXiv commentAccepted for publication in Phys. Chem. Chem. Phys

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• Nonequilibrium diffusion of active particles bound to a semi-flexible polymer network: simulations and fractional Langevin equation
• Dynamics of a spherical self-propelled tracer in a polymeric medium: interplay of self-propulsion, stickiness, and crowding
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• Effect of Confinement and Topology: 2-TIPS vs MIPS
• Collective dynamics of active dumbbells near a circular obstacle
• Active doping controls the mode of failure in dense colloidal gels
• Phase behaviors and dynamics of active particle systems in double-well potential