System Of Active Brownian Particles Research Articles

Occurrence of connected clusters in motility-induced phase-separated states of persistent active particles at zero temperature (a)

To study the interplay of the formation of clusters of overlapping particles and motility-induced phase separation in the zero temperature limit in two dimensions, we consider a simple model system consisting of a bidisperse mixture of disks that are only subject to a repulsion force in case of overlaps and an active force. The orientation of the disks is chosen randomly in the beginning and does not change anytime during the simulation thus corresponding to an infinite persistence length. Simulations with our model system reveal that clusters of overlapping particles occur in the dense phase of a phase-separated state in case of intermediate values of the ratio of active to repulsive force. However, for smaller activities there are only a few overlaps between the particles in the dense phase and the coexistence region ends at a packing fraction below the onset of the formation of clusters with overlapping particles. For large activities small clusters corresponding to small patches of the dense phase are found that are unstable due to the activity. Finally, the occurrence of connected clusters affects the phase separation. Our findings on how cluster formation and phase separation are related are relevant to many active particle systems as after adding thermal noise our model system corresponds to a system of active Brownian particles that have been intensely studied in recent years. Further extensions by adding friction, inertia, or more complex interactions are possible.

Model-Free Measurement of Local Entropy Production and Extractable Work in Active Matter.

Time-reversal symmetry breaking and entropy production are universal features of nonequilibrium phenomena. Despite its importance in the physics of active and living systems, the entropy production of systems with many degrees of freedom has remained of little practical significance because the high dimensionality of their state space makes it difficult to measure. Here we introduce a local measure of entropy production and a numerical protocol to estimate it. We establish a connection between the entropy production and extractability of work in a given region of the system and show how this quantity depends crucially on the degrees of freedom being tracked. We validate our approach in theory, simulation, and experiments by considering systems of active Brownian particles undergoing motility-induced phase separation, as well as active Brownian particles and E.coli in a rectifying device in which the time-reversal asymmetry of the particle dynamics couples to spatial asymmetry to reveal its effects on a macroscopic scale.

Intrinsic structure perspective for MIPS interfaces in two-dimensional systems of active Brownian particles.

Suspensions of active Brownian particles (ABPs) undergo motility-induced phase separation (MIPS) over a wide range of mean density and activity strength, which implies the spontaneous aggregation of particles due to the persistence of their direction of motion, even in the absence of an explicit attraction. Both similarities and qualitative differences have been obtained when the MIPS is analysed in the same terms as a liquid-gas phase coexistence in an equilibrium attractive system. Negative values of the mechanical surface tension have been reported, from the total forces across the interface, while stable fluctuations of the interfacial line could be interpreted as a positive capillary surface tension; in equilibrium liquid surfaces, these two magnitudes are equal. We present here the analysis of 2D-ABP interfaces in terms of the intrinsic density and force profiles, calculated with the particle distance to the instantaneous interfacial line. Our results provide new insight into the origin of MIPS from the local rectification of the random active force on the particles near the interface. As has been reported, this effect acts as an external potential that produces a pressure gradient across the interface, such that the mechanical surface tension of the MIPS cannot be described as that of equilibrium coexisting phases; however, our analysis shows that most of that effect comes from the tightly caged particles at the dense (inner) side of the MIPS interface, rather than from the free moving particles at the outer side that collide with the dense cluster. Moreover, a clear correlation appears between the decay of the hexatic order parameter at the dense slab and the end of the MIPS as the strength of the active force is lowered. We show that, using the strong active forces required for MIPS, the interfacial structure and properties are very similar for ABPs with purely repulsive interactions (the Weeks-Chandler-Andersen-Lennard-Jones (WCA-LJ) model truncated at its minimum) and when the interaction includes a range of the LJ attractive force.

Mode-coupling theory for tagged-particle motion of active Brownian particles.

We derive a mode-coupling theory (MCT) to describe the dynamics of a tracer particle that is embedded in a dense system of active Brownian particles (ABPs) in two spatial dimensions. The ABP undergo translational and rotational Brownian motion 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 single active particle in a glass-forming passive host suspensions, that of a passive colloidal particle in a suspension of ABP, 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 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 nonequilibrium nature of the system and how it manifests itself in the theory.

Optimal collision avoidance in swarms of active Brownian particles

The effectiveness of collective navigation of biological or artificial agents requires to accommodate for contrasting requirements, such as staying in a group while avoiding close encounters and at the same time limiting the energy expenditure for maneuvering. Here, we address this problem by considering a system of active Brownian particles in a finite two-dimensional domain and ask what is the control that realizes the optimal tradeoff between collision avoidance and control expenditure. We couch this problem in the language of optimal stochastic control theory and by means of a mean-field game approach we derive an analytic mean-field solution, characterized by a second-order phase transition in the alignment order parameter. We find that a mean-field version of a classical model for collective motion based on alignment interactions (Vicsek model) performs remarkably close to the optimal control. Our results substantiate the view that observed group behaviors may be explained as the result of optimizing multiple objectives and offer a theoretical ground for biomimetic algorithms used for artificial agents.

Transport coefficients in dense active Brownian particle systems: mode-coupling theory and simulation results

We discuss recent advances in developing a mode-coupling theory of the glass transition (MCT) of two-dimensional systems of active Brownian particles (ABPs). The theory describes the structural relaxation close to the active glass in terms of transient dynamical density correlation functions. We summarize the equations of motion that have been derived for the collective density-fluctuation dynamics and those for the tagged-particle motion. The latter allow to study the dynamics of both passive and active tracers in both passive and active host systems. In the limit of small wave numbers, they give rise to equations of motion describing the mean-squared displacements (MSDs) of these tracers and hence the long-time diffusion coefficients as a transport coefficient quantifying long-range tracer motion. 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, provided that known errors in MCT already for the passive system (i.e., an overestimation of the glassiness of the system) are accounted for by an empirical mapping of packing fractions and host-system self-propulsion forces. 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 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.Graphic abstract

Spatial velocity correlations in inertial systems of active Brownian particles.

Recently, it has been discovered that systems of active Brownian particles (APB) at high density organise their velocities into coherent domains showing large spatial structures in the velocity field. This collective behavior occurs spontaneously, i.e. is not caused by any specific interparticle force favoring the alignment of the velocities. This phenomenon was investigated in the absence of thermal noise and in the overdamped regime where inertial forces could be neglected. In this work, we demonstrate through numerical simulations and theoretical analysis that velocity alignment is a robust property of ABP and persists even in the presence of inertial forces and thermal fluctuations. We also show that a single dimensionless parameter, such as the Péclet number customarily employed in the description of self-propelled particles, is not sufficient to fully characterize this phenomenon either in the regimes of large viscosity or small mass. Indeed, the size of the velocity domains, measured through the correlation length of the spatial velocity correlation, remains constant when the swim velocity increases and decreases as the rotational diffusion becomes larger. We find that, contrary to the common belief, the spatial velocity correlation not only depends on inertia but is also non-symmetrically affected by mass and inverse viscosity variations. We conclude that in self-propelled systems, at variance with passive systems, variations in the inertial time (mass over solvent viscosity) and mass act as independent control parameters. Finally, we highlight the non-thermal nature of the spatial velocity correlations that are fairly insensitive both to solvent and active temperatures.

Phase behavior and surface tension of soft active Brownian particles.

We study quasi two-dimensional, monodisperse systems of active Brownian particles (ABPs) for a range of activities, stiffnesses, and densities. We develop a microscopic, analytical method for predicting the dense phase structure formed after motility-induced phase separation (MIPS) has occurred, including the dense cluster's area fraction, interparticle pressure, and radius. Our predictions are in good agreement with our Brownian dynamics simulations. We, then, derive a continuum model to investigate the relationship between the predicted interparticle pressure, the swim pressure, and the macroscopic pressure in the momentum equation. We find that formulating the point-wise macroscopic pressure as the interparticle pressure and modeling the particle activity through a spatially variant body force - as opposed to a volume-averaged swim pressure - results in consistent predictions of pressure in both the continuum model and the microscopic theory. This formulation of pressure also results in nearly zero surface tension for the phase separated domains, irrespective of activity, stiffness, and area fraction. Furthermore, using Brownian dynamics simulations and our continuum model, we showed that both the interface width and surface tension, are intrinsic characteristics of the system. On the other hand, if we were to exclude the body force induced by activity, we find that the resulting surface tension values are linearly dependent on the size of the simulation, in contrast to the statistical mechanical definition of surface tension.

Active matter at high density: Velocity distribution and kinetic temperature.

We consider the solid or hexatic non-equilibrium phases of an interacting two-dimensional system of active Brownian particles at high density and investigate numerically and theoretically the properties of the velocity distribution function and the associated kinetic temperature. We obtain approximate analytical predictions for the shape of the velocity distribution and find a transition from a Mexican-hat-like to a Gaussian-like distribution as the persistence time of the active force changes from the small to the large persistence regime. Through a detailed numerical and theoretical analysis of the single-particle velocity variance, we report an exact analytical expression for the kinetic temperature of dense spherical self-propelled particles that holds also in the non-equilibrium regimes with large persistence times and discuss its range of validity.

Aggregate morphology of active Brownian particles on porous, circular walls.

We study the motility-induced aggregation of active Brownian particles (ABPs) on a porous, circular wall. We observe that the morphology of aggregated dense-phase on a static wall depends on the wall porosity, particle motility, and the radius of the circular wall. Our analysis reveals two morphologically distinct, dense aggregates; a connected dense cluster that spreads uniformly on the circular wall and a localized cluster that breaks the rotational symmetry of the system. These distinct morphological states are similar to the macroscopic structures observed in aggregates on planar, porous walls. We systematically analyze the parameter regimes where the different morphological states are observed. We further extend our analysis to motile circular rings. We show that the motile ring propels almost ballistically due to the force applied by the active particles when they form a localized cluster, whereas it moves diffusively when the active particles form a continuous cluster. This property demonstrates the possibility of extracting useful work from a system of ABPs, even without artificially breaking the rotational symmetry.

Phase transition and emergence of active temperature in an active Brownian system in underdamped background

We explore the role of inertia in the properties of active Brownian particles (ABPs) immersed in an underdamped background in two dimensions using Langevin dynamics computer simulation. Similar to an equilibrium two-dimensional passive interacting particle system, the system of ABPs transits from a liquid phase to a solid phase with the change in the coupling parameter, which is the ratio of interaction potential energy and thermal energy of the background solvent. Important qualitative and quantitative differences are found in the liquid-solid phase transition with increasing strength of activity as compared to those found in the conventional overdamped background limit. In the underdamped background, inherent activity is found to lead to a temperature, called the active temperature and defined by average velocity fluctuations of the ABPs, that is different from the fixed background solvent temperature. A new scaling law for active temperature as a function of activity strength is found near the liquid-solid boundary. Active temperature, which behaves similar to the thermodynamic equilibrium temperature, is also found to depend upon the interaction strength between the active particles and the strength of the background dissipation. With an increase in background dissipation, the difference between active temperature and the background solvent temperature decreases and the difference is found to eventually vanish in the overdamped limit, demonstrating the correctness of the calculation.

Fluctuation-dissipation in active matter.

In a colloidal suspension at equilibrium, the diffusive motion of a tracer particle due to random thermal fluctuations from the solvent is related to the particle's response to an applied external force, provided this force is weak compared to the thermal restoring forces in the solvent. This is known as the fluctuation-dissipation theorem (FDT) and is expressed via the Stokes-Einstein-Sutherland (SES) relation D = kBT/ζ, where D is the particle's self-diffusivity (fluctuation), ζ is the drag on the particle (dissipation), and kBT is the thermal Boltzmann energy. Active suspensions are widely studied precisely because they are far from equilibrium-they can generate significant nonthermal internal stresses, which can break the detailed balance and time-reversal symmetry-and thus cannot be assumed to obey the FDT a priori. We derive a general relationship between diffusivity and mobility in generic colloidal suspensions (not restricted to near equilibrium) using generalized Taylor dispersion theory and derive specific conditions on particle motion required for the FDT to hold. Even in the simplest system of active Brownian particles (ABPs), these conditions may not be satisfied. Nevertheless, it is still possible to quantify deviations from the FDT and express them in terms of an effective SES relation that accounts for the ABPs conversion of chemical into kinetic energy.

Local stress and pressure in an inhomogeneous system of spherical active Brownian particles

The stress of a fluid on a confining wall is given by the mechanical wall forces, independent of the nature of the fluid being passive or active. At thermal equilibrium, an equation of state exists and stress is likewise obtained from intrinsic bulk properties; even more, stress can be calculated locally. Comparable local descriptions for active systems require a particular consideration of active forces. Here, we derive expressions for the stress exerted on a local volume of a systems of spherical active Brownian particles (ABPs). Using the virial theorem, we obtain two identical stress expressions, a stress due to momentum flux across a hypothetical plane, and a bulk stress inside of the local volume. In the first case, we obtain an active contribution to momentum transport in analogy to momentum transport in an underdamped passive system, and we introduce an active momentum. In the second case, a generally valid expression for the swim stress is derived. By simulations, we demonstrate that the local bulk stress is identical to the wall stress of a confined system for both, non-interacting ABPs as well as ABPs with excluded-volume interactions. This underlines the existence of an equation of state for a system of spherical ABPs. Most importantly, our calculations demonstrated that active stress is not a wall (boundary) effect, but is caused by momentum transport. We demonstrate that the derived stress expression permits the calculation of the local stress in inhomogeneous systems of ABPs.

Quantifying Hidden Order out of Equilibrium

While the equilibrium properties, states, and phase transitions of interacting systems are well described by statistical mechanics, the lack of suitable state parameters has hindered the understanding of non-equilibrium phenomena in diverse settings, from glasses to driven systems to biology. The length of a losslessly compressed data file is a direct measure of its information content: The more ordered the data is, the lower its information content and the shorter the length of its encoding can be made. Here, we describe how data compression enables the quantification of order in non-equilibrium and equilibrium many-body systems, both discrete and continuous, even when the underlying form of order is unknown. We consider absorbing state models on and off-lattice, as well as a system of active Brownian particles undergoing motility-induced phase separation. The technique reliably identifies non-equilibrium phase transitions, determines their character, quantitatively predicts certain critical exponents without prior knowledge of the order parameters, and reveals previously unknown ordering phenomena. This technique should provide a quantitative measure of organization in condensed matter and other systems exhibiting collective phase transitions in and out of equilibrium.

Static structure of active Brownian hard disks

We explore the changes in static structure of a two-dimensional system of active Brownian particles (ABP) with hard-disk interactions, using event-driven Brownian dynamics simulations. In particular, the effect of the self-propulsion velocity and the rotational diffusivity on the orientationally-averaged fluid structure factor is discussed. Typically activity increases structural ordering and generates a structure factor peak at zero wave vector which is a precursor of motility-induced phase separation. Our results provide reference data to test future statistical theories for the fluid structure of active Brownian systems.This manuscript was submitted for the special issue of the Journal of Physics: Condensed Matter associated with the Liquid Matter Conference 2017.

Phase separation in driven granular gases: exploring the elusive character of nonequilibrium steady states

The emergence of patterns and phase separation in many-body systems far from thermal equilibrium is discussed using the example of driven granular gases. It is shown that phase separation follows a similar mechanism as in the systems of active Brownian particles. Depending on the quantities chosen for observation, it may or may not be easy to find functionals analogous to the free energy in equilibrium statistical physics. We argue that although such functionals can always be derived from the dynamics, it is of only limited value for predicting relevant aspects of the nonequilibrium steady state of the system. Consequently, although there is indeed a 'principle' governing the selection of collective nonequilibrium steady states (and the corresponding large deviation functional can be identified), it is not generally useful for predicting the behaviour of the system.

Configurational entropy and effective temperature in systems of active Brownian particles.

We propose a method to determine the effective density of states and configurational entropy in systems of active Brownian particles by measuring the probability distribution function of potential energy at varying temperatures. Assuming that the entropy is a continuous and monotonically increasing function of energy, we provide support that two-dimensional systems of purely repulsive active Brownian spheres can be mapped onto an equilibrium system with a Boltzmann-like distribution and an effective temperature. We find that the effective temperature depends even for a large number of particles on system size, suggesting that active systems are non-extensive. In addition, the effective Helmholtz free energy can be derived from the configurational entropy. We verify our results regarding the configurational entropy by using thermodynamic integration of the effective Helmholtz free energy with respect to temperature.

Collective dynamics in systems of active Brownian particles with dissipative interactions

We use computer simulations to study the onset of collective motion in systems of interacting active particles. Our model is a swarm of active Brownian particles with an internal energy depot and interactions inspired by the dissipative particle dynamics method, imposing pairwise friction force on the nearest neighbors. We study orientational ordering in a 2D system as a function of energy influx rate and particle density. The model demonstrates a transition into the ordered state on increasing the particle density and increasing the input power. Although both the alignment mechanism and the character of individual motion in our model differ from those in the well-studied Vicsek model, it demonstrates identical statistical properties and phase behavior.