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Transport Coefficients in Dense Active Brownian Particle Systems: Mode-Coupling Theory and Simulation Results

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 Added by Thomas Voigtmann
 Publication date 2020
  fields Physics
and research's language is English




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We discuss recent advances in developing a mode-coupling theory of the glass transition (MCT) of two-dimensional systems of active Brownian particles (ABP). We specifically discuss the case of a single ABP tracer in a glass-forming passive host suspension; a case that has recently been studied in experiments on colloidal Janus particles. We employ event-driven Brownian dynamics (ED-BD) computer simulations to test the ABP-MCT, and find good agreement between the two for the MSD. The ED-BD simulation results also compare well to experimental data, although a peculiar non-monotonic mapping of self-propulsion velocities is required. The ABP-MCT predicts a specific self-propulsion dependence of the Stokes-Einstein relation between the long-time diffusion coefficient and the host-system viscosity that matches well the results from simulation. An application of ABP-MCT within the integration-through transients (ITT) framework to calculate the density-renormalized effective swim velocity of the interacting ABP agrees qualitatively with the ED-BD simulation data at densities close to the glass transition, and quantitatively for the full density range only after the mapping of packing fractions employed for the passive system.



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We derive a mode-coupling theory (MCT) to describe the dynamics of tracer particles in dense systems of active Brownian particles (ABPs) in two spatial dimensions. The ABP undergo translational and rotational Brownian dynamics, and are equipped with a fixed self-propulsion speed along their orientational vector that describes their active motility. The resulting equations of motion for the tagged-particle density correlation functions describe the various cases of tracer dynamics close to the glass transition: that of a passive colloidal particle in a suspension of ABP, that of a single active particle in a glass-forming passive host suspensions, and that of active tracers in a bath of active particles. Numerical results are presented for these cases assuming hard-sphere interactions among the particles. The qualitative and quantitative accuracy of the theory is tested against event-driven Brownian dynamics (ED-BD) simulations of active and passive hard disks. Simulation and theory are found in quantitative agreement, provided one adjusts the overall density (as known from the passive description of glassy dynamics), and allows for a rescaling of self-propulsion velocities in the active host system. These adjustments account for the fact that ABP-MCT generally overestimates the tendency for kinetic arrest. We also confirm in the simulations a peculiar feature of the transient and stationary dynamical density correlation functions regarding their lack of symmetry under time reversal, demonstrating the non-equilibrium nature of the system and how it manifests itself in the theory.
We investigate the displacements of a probe particle inside a glass, when a strong external force is applied to the probe (active nonlinear microrheology). Calculations within mode coupling theory are presented for glasses of hard spheres and compared to Langevin and Brownian dynamics simulations. Under not too strong forces where the probe remains trapped, the probe density distribution becomes anisotropic. It is shifted towards the direction of the force, develops an enhanced tail in that direction (signalled by a positive skewness), and exhibits different variances along and perpendicular to the force direction. A simple model of an harmonically trapped probe rationalizes the low force limit, with strong strain softening setting in at forces of the order of a few thermal energies per particle radius.
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Particles kicked by external forces to produce mobility distinct from thermal diffusion are an iconic feature of the active matter problem. Here, we map this onto a minimal model for experiment and theory covering the wide time and length scales of usual active matter systems. A particle diffusing in a harmonic potential generated by an optical trap is kicked by programmed forces with time correlation at random intervals following the Poisson process. The models generic simplicity allows us to find conditions for which displacements are Gaussian (or not), how diffusion is perturbed (or not) by kicks, and quantifying heat dissipation to maintain the non-equilibrium steady state in an active bath. The model reproduces experimental results of tracer mobility in an active bath of swimming algal cells. It can be used as a stochastic dynamic simulator for Brownian objects in various active baths without mechanistic understanding, owing to the generic framework of the protocol.
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