Dynamical anomalies and structural features of active Brownian particles characterized by two repulsive length scales (original) (raw)
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arXiv (Cornell University), 2022
In this work we study a two-dimensional system composed by Active Brownian Particles (ABPs) interacting via a repulsive potential with two-length-scales, a soft shell and a hard-core. Depending on the ratio between the strength of the soft shell barrier and the activity, we find two regimes: If this ratio is much larger or smaller than 1, the observed behaviour is comparable with ABPs interacting via a single length-scale potential. If this ratio is similar to 1, the two length-scales are relevant for both structure and dynamical properties. On the structural side, when the system exhibits a motility induced phase separation, the dense phase is characterised by new and more complex structures compared with the hexatic phase observed in single length-scale systems. On the dynamical side, as far as we are aware, this is the first representation of an anomalous dynamics in active particles.
Phase coexistence of active Brownian particles
Physical Review E
We investigate motility-induced phase separation of active Brownian particles, which are modeled as purely repulsive spheres that move due to a constant swim force with freely diffusing orientation. We develop on the basis of power functional concepts an analytical theory for nonequilibrium phase coexistence and interfacial structure. Theoretical predictions are validated against Brownian dynamics computer simulations. We show that the internal one-body force field has four nonequilibrium contributions: (i) isotropic drag and (ii) interfacial drag forces against the forward motion, (iii) a superadiabatic spherical pressure gradient, and (iv) the quiet life gradient force. The intrinsic spherical pressure is balanced by the swim pressure, which arises from the polarization of the free interface. The quiet life force opposes the adiabatic force, which is due to the inhomogeneous density distribution. The balance of quiet life and adiabatic forces determines bulk coexistence via equality of two bulk state functions, which are independent of interfacial contributions. The internal force fields are kinematic functionals which depend on density and current but are independent of external and swim forces, consistent with power functional theory. The phase transition originates from nonequilibrium repulsion, with the agile gas being more repulsive than the quiet liquid.
The Journal of Chemical Physics
We study a two-dimensional system composed by Active Brownian Particles (ABP), 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 Péclet number. In our model, two additional effects are present: traslational niose 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 spheres 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 similarly to a fragile glass.
Pressure and Phase Equilibria in Interacting Active Brownian Spheres
Physical Review Letters, 2015
We derive from first principles the mechanical pressure P , defined as the force per unit area on a bounding wall, in a system of spherical, overdamped, active Brownian particles at density ρ. Our exact result relates P , in closed form, to bulk correlators and shows that (i) P (ρ) is a state function, independent of the particle-wall interaction; (ii) interactions contribute two terms to P , one encoding the slow-down that drives motility-induced phase separation, and the other a direct contribution well known for passive systems; (iii) P (ρ) is equal in coexisting phases. We discuss the consequences of these results for the motility-induced phase separation of active Brownian particles, and show that the densities at coexistence do not satisfy a Maxwell construction on P .
Physical Review Letters, 2021
Motility-induced phase separation (MIPS), the phenomenon in which purely repulsive active particles undergo a liquid-gas phase separation, is among the simplest and most widely studied examples of a nonequilibrium phase transition. Here, we show that states of MIPS coexistence are in fact only metastable for three-dimensional active Brownian particles over a very broad range of conditions, decaying at long times through an ordering transition we call active crystallization. At an activity just above the MIPS critical point, the liquid-gas binodal is superseded by the crystal-fluid coexistence curve, with solid, liquid, and gas all coexisting at the triple point where the two curves intersect. Nucleating an active crystal from a disordered fluid, however, requires a rare fluctuation that exhibits the nearly close-packed density of the solid phase. The corresponding barrier to crystallization is surmountable on a feasible timescale only at high activity, and only at fluid densities near maximal packing. The glassiness expected for such dense liquids at equilibrium is strongly mitigated by active forces, so that the lifetime of liquid-gas coexistence declines steadily with increasing activity, manifesting in simulations as a facile spontaneous crystallization at extremely high activity.
Stability phase diagram of active Brownian particles
Physical Review Research
Phase separation in a low-density gas-like phase and a high-density liquid-like one is a common trait of biological and synthetic self-propelling particles' systems. The competition between motility and stochastic forces is assumed to fix the boundary between the homogeneous and the phase-separated phase. Here we demonstrate that, on the contrary, motility does also promote the homogeneous phase allowing particles to resolve their collisions. This new understanding allows quantitatively predicting the spinodal-line of hard self-propelling Brownian particles, the prototypical model exhibiting a motility induced phase separation. Furthermore, we demonstrate that frictional forces control the physical process by which motility promotes the homogeneous phase. Hence, friction emerges as an experimentally variable parameter to control the motility induced phase diagram.
Frictional active Brownian particles
Physical Review E
Frictional forces affect the rheology of hard-sphere colloids, at high shear rate. Here we demonstrate, via numerical simulations, that they also affect the dynamics of active Brownian particles and their motility-induced phase separation. Frictional forces increase the angular diffusivity of the particles, in the dilute phase, and prevent colliding particles from resolving their collision by sliding one past to the other. This leads to qualitatively changes of motility-induced phase diagram in the volume-fraction motility plane. While frictionless systems become unstable towards phase separation as the motility increases only if their volume fraction overcomes a threshold, frictional systems become unstable regardless of their volume fraction. These results suggest the possibility of controlling the motility-induced phase diagram by tuning the roughness of the particles.
Simulation Study of Seemingly Fickian but Heterogeneous Dynamics of Two Dimensional Colloids
Physical Review Letters, 2013
A two-dimensional (2D) solid lacks long-range positional order and is diffusive by means of the cooperative motion of particles. We find from molecular dynamics simulations of hard discs that 2D colloids in solid and hexatic phases show seemingly Fickian but strongly heterogeneous dynamics. Beyond translational relaxation time, the mean-square displacement is linear with time, t, implying that discs would undergo Brownian diffusion and the self-part of the van Hove correlation function [G s ðr; tÞ] might be Gaussian. But dynamics is still heterogeneous and G s ðr; tÞ is exponential at large r and oscillatory with multiple peaks at intermediate length. We attribute the existence of several such peaks to the observation that there are several clusters of discs with discretized mobility. The cluster of marginally mobile discs grows with time and begins to percolate around translational relaxation time while clusters of fast discs emerge in the middle of the marginally mobile cluster.
Dynamical steady-states of active colloids interacting via chemical fields
arXiv (Cornell University), 2022
We study the dynamical steady-states of a monolayer of chemically active self-phoretic colloids as a function of packing fraction and self-propulsion speed by means of Brownian dynamics simulations. We focus on the case that a chemical field induces competing attractive positional and repulsive orientational interactions. Analyzing the distribution of cluster size and local density as well as the hexatic order parameter, we distinguish four distinct dynamical states which include collapsed, active gas, dynamical clustering, and motility-induced phase-separated states. The long-range chemical field-induced interactions shift the onset of motility-induced phase separation (MIPS) to very low packing fractions at intermediate self-propulsion speeds. We also find that the fraction of particles in the largest clusters is a suitable order parameter characterizing the dynamical phase transitions from an active gas or dynamical clustering steady-state to a phase-separated state upon increase of the packing fraction. The order parameter changes discontinuously when going from an active gas to a MIPS-like state at intermediate self-propulsion speeds, whereas it changes continuously at larger activities where the system undergoes a transition from a dynamical clustering state to MIPS-like state.