Characterization of MIPS in a suspension of repulsive active Brownian particles through dynamical features

We study a two-dimensional system composed by Active Brownian Particles (ABPs), focusing on the onset of Motility Induced Phase Separation (MIPS), by means of molecular dynamics simulations. For a pure hard-disk system with no translational diffusion, the phase diagram would be completely determined by their density and Peclet number. In our model, two additional effects are present: translational noise and the overlap of particles; we study the effects of both in the phase space. As we show, the second effect can be mitigated if we use, instead of the standard Weeks-Chandler-Andersen potential, a stiffer potential: the pseudo-hard sphere potential. Moreover, in determining the boundary of our phase space, we explore different approaches to detect MIPS and conclude that observing dynamical features, via the non-Gaussian parameter, is more efficient than observing structural ones, such as through the local density distribution function. We also demonstrate that the Vogel-Fulcher equation successfully reproduces the decay of the diffusion as a function of density, with the exception of very high densities. Thus, in this regard, the ABP system behaves similar to a fragile glass.

Automated summary

The study focuses on the onset of Motility Induced Phase Separation (MIPS) in a two-dimensional system of Active Brownian Particles (ABPs) through molecular dynamics simulations. The phase diagram of the system is found to be determined by density and Peclet number. The effects of translational noise and particle overlap are studied, with the use of a stiffer potential and observation of dynamical features being more efficient in detecting MIPS.