Model Of Active Brownian Particles Research Articles

Synchronized rotations of active particles on chemical substrates.

Many microorganisms use chemical 'signaling' - a quintessential self-organizing strategy in non-equilibrium - that can induce spontaneous aggregation and coordinated motion. Using synthetic signaling as a design principle, we construct a minimal model of active Brownian particles (ABPs) having soft repulsive interactions on a chemically quenched patterned substrate. The interplay between chemo-phoretic interactions and activity is numerically investigated for a proposed variant of the Keller-Segel model for chemotaxis. Such competition not only results in a chemo-motility-induced phase-separated state, but also results in a new cohesive clustering phase with synchronized rotations. Our results suggest that rotational order can emerge in systems by virtue of activity and repulsive interactions alone without an explicit alignment interaction. These rotations can also be exploited by designing mechanical devices that can generate reorienting torques using active particles.

Active oscillator: Recurrence relation approach

The present work analyzes stationary distributions of active Brownian particles in a harmonic trap. Generally, obtaining stationary distributions for this system is non-trivial, and to date, no exact expressions are available. In this work, we develop and explore a method based on a transformation of the Fokker–Planck equation into a recurrence relation for generating moments of a distribution. The method, therefore, offers an analytically tractable approach, an alternative to numerical simulations, in a situation where more direct analytical approaches fail. Although the current work focuses on the active Brownian particle model, the method is general and valid for any type of active dynamics and any system dimension.

Dynamics of active particles with translational and rotational inertia

Inertial effects affecting both the translational and rotational dynamics are inherent to a broad range of active systems at the macroscopic scale. Thus, there is a pivotal need for proper models in the framework of active matter to correctly reproduce experimental results, hopefully achieving theoretical insights. For this purpose, we propose an inertial version of the active Ornstein–Uhlenbeck particle (AOUP) model accounting for particle mass (translational inertia) as well as its moment of inertia (rotational inertia) and derive the full expression for its steady-state properties. The inertial AOUP dynamics introduced in this paper is designed to capture the basic features of the well-established inertial active Brownian particle model, i.e. the persistence time of the active motion and the long-time diffusion coefficient. For a small or moderate rotational inertia, these two models predict similar dynamics at all timescales and, in general, our inertial AOUP model consistently yields the same trend upon changing the moment of inertia for various dynamical correlation functions.

Exploiting compositional disorder in collectives of light-driven circle walkers.

Emergent behavior in collectives of "robotic" units with limited capabilities that is robust and programmable is a promising route to perform tasks on the micro and nanoscale that are otherwise difficult to realize. However, a comprehensive theoretical understanding of the physical principles, in particular steric interactions in crowded environments, is still largely missing. Here, we study simple light-driven walkers propelled through internal vibrations. We demonstrate that their dynamics is well captured by the model of active Brownian particles, albeit with an angular speed that differs between individual units. Transferring to a numerical model, we show that this polydispersity of angular speeds gives rise to specific collective behavior: self-sorting under confinement and enhancement of translational diffusion. Our results show that, while naively perceived as imperfection, disorder of individual properties can provide another route to realize programmable active matter.

Survival strategies of artificial active agents

Artificial cells can be engineered to display dynamics sharing remarkable features in common with the survival behavior of living organisms. In particular, such active systems can respond to stimuli provided by the environment and undertake specific displacements to remain out of equilibrium, e.g. by moving towards regions with higher fuel concentration. In spite of the intense experimental activity aiming at investigating this fascinating behavior, a rigorous definition and characterization of such “survival strategies” from a statistical physics perspective is still missing. In this work, we take a first step in this direction by adapting and applying to active systems the theoretical framework of Transition Path Theory, which was originally introduced to investigate rare thermally activated transitions in passive systems. We perform experiments on camphor disks navigating Petri dishes and perform simulations in the paradigmatic active Brownian particle model to show how the notions of transition probability density and committor function provide the pivotal concepts to identify survival strategies, improve modeling, and obtain and validate experimentally testable predictions. The definition of survival in these artificial systems paves the way to move beyond simple observation and to formally characterize, design and predict complex life-like behaviors.

Well-Posedness of an Integro-Differential Model for Active Brownian Particles

We propose a general strategy for solving nonlinear integro-differential evolution problems with periodic boundary conditions, where no direct maximum/minimum principle is available. This is motivated by the study of recent macroscopic models for active Brownian particles with repulsive interactions, consisting of advection-diffusion processes in the space of particle position and orientation. We focus on one of such models, namely a semilinear parabolic equation with a nonlinear active drift term, whereby the velocity depends on the particle orientation and angle-independent overall particle density (leading to a nonlocal term by integrating out the angular variable). The main idea of the existence analysis is to exploit a-priori estimates from (approximate) entropy dissipation. The global existence and uniqueness of weak solutions is shown using a two-step Galerkin approximation with appropriate cutoff in order to obtain nonnegativity, an upper bound on the overall density and preserve a-priori estimates. Our anyalysis naturally includes the case of finite systems, corresponding to the case of a finite number of directions. The Duhamel principle is then used to obtain additional regularity of the solution, namely continuity in time-space. Motivated by the class of initial data relevant for the application, which includes perfectly aligned particles (same orientation), we extend the well-posedness result to very weak solutions allowing distributional initial data with low regularity.

Interplay of surface interaction and magnetic torque in single-cell motion of magnetotactic bacteria in microfluidic confinement.

Swimming microorganisms often experience complex environments in their natural habitat. The same is true for microswimmers in envisioned biomedical applications. The simple aqueous conditions typically studied in the lab differ strongly from those found in these environments and often exclude the effects of small volume confinement or the influence that external fields have on their motion. In this work, we investigate magnetically steerable microswimmers, specifically magnetotactic bacteria, in strong spatial confinement and under the influence of an external magnetic field. We trap single cells in micrometer-sized microfluidic chambers and track and analyze their motion, which shows a variety of different trajectories, depending on the chamber size and the strength of the magnetic field. Combining these experimental observations with simulations using a variant of an active Brownian particle model, we explain the variety of trajectories by the interplay between the wall interactions and the magnetic torque. We also analyze the pronounced cell-to-cell heterogeneity, which makes single-cell tracking essential for an understanding of the motility patterns. In this way, our work establishes a basis for the analysis and prediction of microswimmer motility in more complex environments.

Anisotropic active Brownian particle with a fluctuating propulsion force.

The active Brownian particle (ABP) model describes a swimmer, synthetic or living, whose direction of swimming is a Brownian motion. The swimming is due to a propulsion force, and the fluctuations are typically thermal in origin. We present a two-dimensional model where the fluctuations arise from nonthermal noise in a propelling force acting at a single point, such as that due to a flagellum. We take the overdamped limit and find several modifications to the traditional ABP model. Since the fluctuating force causes a fluctuating torque, the diffusion tensor describing the process has a coupling between translational and rotational degrees of freedom. An anisotropic particle also exhibits a mass-dependent noise-induced drift, which does not disappear in the overdamped limit. We show that these effects have measurable consequences for the long-time diffusivity of active particles, in particular adding a contribution that is independent of where the force acts.

Shape matters: a Brownian microswimmer in a channel

Abstract

A minimal model for structure, dynamics, and tension of monolayered cell colonies

The motion of cells in tissues is an ubiquitous phenomenon. In particular, in monolayered cell colonies in vitro, pronounced collective behavior with swirl-like motion has been observed deep within a cell colony, while at the same time, the colony remains cohesive, with not a single cell escaping at the edge. Thus, the colony displays liquid-like properties inside, in coexistence with a cell-free “vacuum” outside. We propose an active Brownian particle model with attraction, in which the interaction potential has a broad minimum to give particles enough wiggling space to be collectively in the fluid state. We demonstrate that for moderate propulsion, this model can generate the fluid-vacuum coexistence described above. In addition, the combination of the fluid nature of the colony with cohesion leads to preferred orientation of the cell polarity, pointing outward, at the edge, which in turn gives rise to a tensile stress in the colony—as observed experimentally for epithelial sheets. For stronger propulsion, collective detachment of cell clusters is predicted. Further addition of an alignment preference of cell polarity and velocity direction results in enhanced coordinated, swirl-like motion, increased tensile stress and cell-cluster detachment.

Controlling Cell Motion and Microscale Flow with Polarized Light Fields

We investigate how light polarization affects the motion of photoresponsive algae, Euglena gracilis. In a uniformly polarized field, cells swim approximately perpendicular to the polarization direction and form a nematic state with zero mean velocity. When light polarization varies spatially, cell motion is modulated by local polarization. In such light fields, cells exhibit complex spatial distribution and motion patterns which are controlled by topological properties of the underlying fields; we further show that ordered cell swimming can generate directed transporting fluid flow. Experimental results are quantitatively reproduced by an active Brownian particle model in which particle motion direction is nematically coupled to local light polarization.

Active Brownian particles simulated in molecular dynamics**Project supported by Hong Kong RGC CRF, China (Grant No. C1018-17G), GRF, China (Grant No. 16228216), and Jiangsu University Foundation (Grant No. 20JDG20).

In the numerical studies of active particles, models consisting of a solid body and a fluid body have been well established and widely used. In this work, such an active Brownian particle (ABP) is realized in molecular dynamics (MD) simulations. Immersed in a fluid, each ABP consists of a head particle and a spherical phantom region of fluid where the flagellum of a microswimmer takes effect. Quantitative control over the orientational persistence time is achieved via an external stochastic dynamics. This control makes it possible to validate ABP’s diffusion property in a wide range of particle activity. In molecular description, the axial velocity of ABP exhibits a Gaussian distribution. Its mean value defines the active velocity which increases with the active force linearly, but shows no dependence on the rotational diffusion coefficient. For the active diffusion coefficient measured in free space, it shows semi-quantitative agreement with the analytical result predicted by a minimal ABP model. Furthermore, the active diffusion coefficient is also calculated by performing a quantitative analysis on the ABP’s distribution along x axis in a confinement potential. Comparing the active diffusion coefficients in the above two cases (in free space and in confinement), the validity of the ABP modeling implemented in MD simulations is confirmed. Possible reasons for the small deviation between the two diffusion coefficients are also discussed.

Fine balance of chemotactic and hydrodynamic torques: When microswimmers orbit a pillar just once.

We study the detention statistics of self-propelling droplet microswimmers attaching to microfluidic pillars. These droplets show negative autochemotaxis: they shed a persistent repulsive trail of spent fuel that biases them to detach from pillars in a specific size range after orbiting them just once. We have designed a microfluidic assay recording microswimmers in pillar arrays of varying diameter, derived detention statistics via digital image analysis, and interpreted these statistics via the Langevin dynamics of an active Brownian particle model. By comparing data from orbits with and without residual chemical field, we can independently estimate quantities such as hydrodynamic and chemorepulsive torques, chemical coupling constants and diffusion coefficients, as well as their dependence on environmental factors such as wall curvature. This type of analysis is generalizable to many kinds of microswimmers.

Anomalous Diffusion of Active Brownian Particles in Crystalline Phases

By performing a molecular-dynamics model of active Brownian particles in 2D geometry and systematically changing the system densities, an investigation of the diffusion of active Brownian particles from homogeneous fluid phases to hexagonal-packed crystalline phases is presented. It is found that particle diffusion is short-time superdiffusive and long-time Fickian, where the effective diffusion coefficient decreases with the increasing density. Such behavior can be theoretically captured by a modified overdamped Langevin equation. On the other hand, the displacement distribution of active Brownian particles in dilute suspensions is identified to be governed by the classic diffusion equation. However, dynamic heterogeneity emerges for the fluctuations of systems in crystalline phases, where the tail of van Hove function is found to follow the exponential distribution instead of the Gaussian form. Such anomalous phenomena perhaps could be attributed to the dense environments where the distribution of particle diffusivity is non-uniform. Our findings potentially provide a significant advance in revealing the fundamental nonequilibrium physics of active matter systems.

Probing the Spatiotemporal Dynamics of Catalytic Janus Particles with Single-Particle Tracking and Differential Dynamic Microscopy.

We demonstrate differential dynamic microscopy and particle tracking for the characterization of the spatiotemporal behavior of active Janus colloids in terms of the intermediate scattering function (ISF). We provide an analytical solution for the ISF of the paradigmatic active Brownian particle model and find striking agreement with experimental results from the smallest length scales, where translational diffusion and self-propulsion dominate, up to the largest ones, which probe effective diffusion due to rotational Brownian motion. At intermediate length scales, characteristic oscillations resolve the crossover between directed motion to orientational relaxation and allow us to discriminate active Brownian motion from other reorientation processes, e.g., run-and-tumble motion. A direct comparison to theoretical predictions reliably yields the rotational and translational diffusion coefficients of the particles, the mean and width of their speed distribution, and the temporal evolution of these parameters.

Active Brownian particles driven by constant affinity

Experimental realizations of self-propelled colloidal Janus particles exploit the conversion of free energy into directed motion. One route is phoretic mechanisms that can be modeled schematically as the interconversion of two chemical species. Here we consider the situation when the difference of chemical potential between the two species (the driving affinity) can be assumed to be constant, and we derive the thermodynamically consistent equations of motion. In contrast to the standard model of active Brownian particles parametrized by a constant self-propulsion speed, this yields a non-constant speed that depends on the potential energy of the suspension. This approach allows to consistently model the breaking of detailed balance and the accompanying entropy production without non-conservative forces.

Do hydrodynamic interactions affect the swim pressure?

We study the motion of a spherical active Brownian particle (ABP) of size a, moving with a fixed speed U0, and reorienting on a time scale τR in the presence of a confining boundary. Because momentum is conserved in the embedding fluid, we show that the average force per unit area on the boundary equals the bulk mechanical pressure P∞ = p∞f + Π∞, where p∞f is the fluid pressure and Π∞ is the particle pressure; this is true for active and passive particles alike regardless of how the particles interact with the boundary. As an example, we investigate how hydrodynamic interactions (HI) change the particle-phase pressure at the wall, and find that Πwall = n∞(kBT + ζ(Δ)U0l(Δ)/6), where ζ is the (Stokes) drag on the swimmer, l = U0τR is the run length, and Δ is the minimum gap size between the particle and the wall; as Δ → ∞ this is the familiar swim pressure [Takatori et al., Phys. Rev. Lett., 2014, 113, 1-5].

How many dissenters does it take to disorder a flock?

We consider the effect of introducing a small number of non-aligning agents in a well-formed flock. To this end, we modify a minimal model of active Brownian particles with purely repulsive (excluded volume) forces to introduce an alignment interaction that will be experienced by all the particles except for a small minority of ‘dissenters’. We find that even a very small fraction of dissenters disrupts the flocking state. Strikingly, these motile dissenters are much more effective than an equal number of static obstacles in breaking up the flock. For the studied system sizes we obtain clear evidence of scale invariance at the flocking-disorder transition point and the system can be effectively described with a finite-size scaling formalism. We develop a continuum model for the system which reveals that dissenters act like annealed noise on aligners, with a noise strength that grows with the persistence of the dissenters’ dynamics.

Heat, temperature and Clausius inequality in a model for active Brownian particles

Methods of stochastic thermodynamics and hydrodynamics are applied to a recently introduced model of active particles. The model consists of an overdamped particle subject to Gaussian coloured noise. Inspired by stochastic thermodynamics, we derive from the system’s Fokker-Planck equation the average exchanges of heat and work with the active bath and the associated entropy production. We show that a Clausius inequality holds, with the local (non-uniform) temperature of the active bath replacing the uniform temperature usually encountered in equilibrium systems. Furthermore, by restricting the dynamical space to the first velocity moments of the local distribution function we derive a hydrodynamic description where local pressure, kinetic temperature and internal heat fluxes appear and are consistent with the previous thermodynamic analysis. The procedure also shows under which conditions one obtains the unified coloured noise approximation (UCNA): such an approximation neglects the fast relaxation to the active bath and therefore yields detailed balance and zero entropy production. In the last part, by using multiple time-scale analysis, we provide a constructive method (alternative to UCNA) to determine the solution of the Kramers equation and go beyond the detailed balance condition determining negative entropy production.

Superfluid Behavior of Active Suspensions from Diffusive Stretching.

The current understanding is that the non-Newtonian rheology of active matter suspensions is governed by fluid-mediated hydrodynamic interactions associated with active self-propulsion. Here we discover an additional contribution to the suspension shear stress that predicts both thickening and thinning behavior, even when there is no nematic ordering of the microswimmers with the imposed flow. A simple micromechanical model of active Brownian particles in homogeneous shear flow reveals the existence of off-diagonal shear components in the swim stress tensor, which are independent of hydrodynamic interactions and fluid disturbances. Theoretical predictions from our model are consistent with existing experimental measurements of the shear viscosity of active suspensions, but also suggest new behavior not predicted by conventional models.