Self-propulsion Velocity Research Articles

Confined self-propulsion of an isotropic active colloid

To spontaneously break their intrinsic symmetry and self-propel at the micron scale, isotropic active colloidal particles and droplets exploit the nonlinear convective transport of chemical solutes emitted/consumed at their surface by the surface-driven fluid flows generated by these solutes. Significant progress was recently made to understand the onset of self-propulsion and nonlinear dynamics. Yet, most models ignore a fundamental experimental feature, namely the spatial confinement of the colloid, and its effect on propulsion. In this work the self-propulsion of an isotropic colloid inside a capillary tube is investigated numerically. A flexible computational framework is proposed based on a finite-volume approach on adaptative octree grids and embedded boundary methods. This method is able to account for complex geometric confinement, the nonlinear coupling of chemical transport and flow fields, and the precise resolution of the surface boundary conditions, that drive the system's dynamics. Somewhat counterintuitively, spatial confinement promotes the colloid's spontaneous motion by reducing the minimum advection-to-diffusion ratio or Péclet number, ${Pe}$ , required to self-propel; furthermore, self-propulsion velocities are significantly modified as the colloid-to-capillary size ratio $\kappa$ is increased, reaching a maximum at fixed ${Pe}$ for an optimal confinement $0<\kappa <1$ . These properties stem from a fundamental change in the dominant chemical transport mechanism with respect to the unbounded problem: with diffusion now restricted in most directions by the confining walls, the excess solute is predominantly convected away downstream from the colloid, enhancing front-back concentration contrasts. These results are confirmed quantitatively using conservation arguments and lubrication analysis of the tightly confined limit, $\kappa \rightarrow 1$ .

Escape kinetics of self-propelled particles from a circular cavity.

We numerically investigate the mean exit time of an inertial active Brownian particle from a circular cavity with single or multiple exit windows. Our simulation results witness distinct escape mechanisms depending on the relative amplitudes of the thermal length and self-propulsion length compared to the cavity and pore sizes. For exceedingly large self-propulsion lengths, overdamped active particles diffuse on the cavity surface, and rotational dynamics solely governs the exit process. On the other hand, the escape kinetics of a very weakly damped active particle is largely dictated by bouncing effects on the cavity walls irrespective of the amplitude of self-propulsion persistence lengths. We show that the exit rate can be maximized for an optimal self-propulsion persistence length, which depends on the damping strength, self-propulsion velocity, and cavity size. However, the optimal persistence length is insensitive to the opening windows' size, number, and arrangement. Numerical results have been interpreted analytically based on qualitative arguments. The present analysis aims at understanding the transport controlling mechanism of active matter in confined structures.

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.

Optimization of an active heat engine.

Optimization of heat engines at the microscale has applications in biological and artificial nanotechnology and stimulates theoretical research in nonequilibrium statistical physics. Here we consider noninteracting overdamped particles confined by an external harmonic potential, in contact with either a thermal reservoir or a stochastic self-propulsion force (active Ornstein-Uhlenbeck model). A cyclical machine is produced by periodic variation of the parameters of the potential and of the noise. An exact mapping between the passive and the active model allows us to define the effective temperature T_{eff}(t), which is meaningful for the thermodynamic performance of the engine. We show that T_{eff}(t) is different from all other known active temperatures, typically used in static situations. The mapping allows us to optimize the active engine, regardless of the values of the persistence time or self-propulsion velocity. In particular, through linear irreversible thermodynamics (small amplitude of the cycle), we give an explicit formula for the optimal cycle period and phase delay (between the two modulated parameters, stiffness and temperature) achieving maximum power with Curzon-Ahlborn efficiency. In the quasistatic limit, the formula for T_{eff}(t) simplifies and coincides with a recently proposed temperature for stochastic thermodynamics, bearing a compact expression for the maximum efficiency. A point, which has been overlooked in recent literature, is made about the difficulty in defining efficiency without a consistent definition of effective temperature.

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

Current reversal of active particles in channel with time-oscillating boundaries

Directed transport of active particles in a two-dimensional asymmetrical periodic channel with time-oscillating boundaries is numerically investigated. It is found that the oscillation of the channel boundaries and the self-propulsion of active particles are two different types of non-equilibrium driving that can induce directional transport, the competition between the both determine the direction of the transport. Remarkably, for a given asymmetric parameter of the channel, the average velocity can change direction twice on changing the oscillating frequency due to the competition of the oscillation of the channel boundaries and the self-propulsion. Additionally, we find that the particles with different self-propulsion velocities or rotational diffusion coefficients will move in opposite direction and can be separated.

Phoretic self-propulsion of Janus disks in the fast-reaction limit

Using a combination of singular perturbation analysis and conformal mapping techniques, the self-propulsion velocity is found in the limit of fast reaction for a Janus particle with half of the boundary active and the other half inert.

Hydrochemical interactions in dilute phoretic suspensions: From individual particle properties to collective organization

Janus phoretic colloids (JPs) self-propel as a result of self-generated chemical gradients and exhibit spontaneous nontrivial dynamics within phoretic suspensions, on length scales much larger than the microscopic swimmer size. Such collective dynamics arise from the competition of (i) the self-propulsion velocity of the particles, (ii) the attractive/repulsive chemically-mediated interactions between particles and (iii) the flow disturbance they introduce in the surrounding medium. These three ingredients are directly determined by the shape and physico-chemical properties of the colloids' surface. Owing to such link, we adapt a recent and popular kinetic model for dilute suspensions of chemically-active JPs where the particles' far-field hydrodynamic and chemical signatures are intrinsically linked and explicitly determined by the design properties. Using linear stability analysis, we show that self-propulsion can induce a wave-selective mechanism for certain particles' configurations consistent with experimental observations. Numerical simulations of the complete kinetic model are further performed to analyze the relative importance of chemical and hydrodynamic interactions in the nonlinear dynamics. Our results show that regular patterns in the particle density are promoted by chemical signaling but prevented by the strong fluid flows generated collectively by the polarized particles, regardless of their chemotactic or antichemotactic nature (i.e. for both puller and pusher swimmers).

Scalable Chemical Synthesis Route to Manufacture pH-Responsive Janus CaCO3 Micromotors.

A cost-effective scalable chemical route to produce pH-responsive active colloids (ACs) is developed here. For the first time, calcium carbonate particles are half-coated with a silica layer via Pickering emulsion methodology. This methodology allows to create anisotropy on the particles' surfaces and benefit from the decomposition of the calcium carbonate in acidic media to generate self-propulsion. The coupling between the self-diffusiophoretic motion of these ACs and acid concentrations is experimentally investigated in Newtonian media via optical microscopy. With increasing hydrogen-ion concentrations, the pH-responsive colloids experience higher mean-square displacements because of self-propulsion velocities and enhanced long-time diffusivities. Because they are biocompatible and environmentally friendly, these ACs constitute a platform for advanced diagnostics, targeted drug delivery, and water/soil remediation.

Flocking with a q-fold discrete symmetry: Band-to-lane transition in the active Potts model.

We study the q-state active Potts model (APM) on a two-dimensional lattice in which self-propelled particles have q internal states corresponding to the q directions of motion. A local alignment rule inspired by the ferromagnetic q-state Potts model and self-propulsion via biased diffusion according to the internal particle states elicits collective motion at high densities and low noise. We formulate a coarse-grained hydrodynamic theory with which we compute the phase diagrams of the APM for q=4 and q=6 and analyze the flocking dynamics in the coexistence region, where the high-density (polar liquid) phase forms a fluctuating stripe of coherently moving particles on the background of the low-density (gas) phase. A reorientation transition of the phase-separated profiles from transversal band motion to longitudinal lane formation is found, which is absent in the Vicsek model and the active Ising model. The origin of this reorientation transition is revealed by a stability analysis: for large velocities the transverse diffusivity approaches zero and stabilizes lanes. Computer simulations corroborate the analytical predictions of the flocking and reorientation transitions and validate the phase diagrams of the APM.

Separation and alignment of chiral active particles in a rotational magnetic field.

We propose a method for the chiral separation and alignment of active paramagnetic particles in a two-dimensional square box with periodic boundary conditions. In a rotational magnetic field, the dynamic behavior of magnetized particles is strongly determined by the competition between the magnetic interaction and differing chirality. By suitably tailoring the parameters, active particles with different chirality can be aggregated into different clusters and separated. However, when either the magnetic interaction or chirality difference is dominant, the particles are prone to mixing. In addition, the external rotational magnetic field plays a decisive role in aligning particles. The numerical results show that there exists an optimal strength and rotation frequency of the magnetic field, as well as a rotational diffusion coefficient, self-propulsion velocity, and packing fraction, at which the separation coefficient takes its maximal value. The proposed method can be exploited to separate naturally occurring chiral active particles.

Flocking and reorientation transition in the 4-state active Potts model

We study the active 4-state Potts model (APM) on the square lattice in which active particles have four internal states corresponding to the four directions of motion. A local alignment rule inspired by the ferromagnetic 4-state Potts model and self-propulsion via biased diffusion according to the internal particle states leads to flocking at high densities and low noise. We compute the phase diagram of the APM and explore the flocking dynamics in the region, in which the high-density (liquid) phase coexists with the low-density (gas) phase and forms a fluctuating band of coherently moving particles. As a function of the particle self-propulsion velocity, a novel reorientation transition of the phase-separated profiles from transversal to longitudinal band motion is revealed, which is absent in the Vicsek model and the active Ising model. We further construct a coarse-grained hydrodynamic description of the model which validates the results for the microscopic model.

Quantitative analysis of the gain in probability of escaping for ideal phototactic swimmers due to chaotic dynamics.

We study the dynamics of ideal phototactic swimmers in a steady two-dimensional model flow with transport barriers. We consider a distant light source, in which case the self-propulsion velocity of the swimmers is, at any instant, along a predetermined direction. The probability of transport along that direction emerges from the competing effects of the swimmers' self-propulsion and the flow's transport barriers. For swimmers bounded to have the same time average self-propulsion speed, temporal modulation of that speed increases the probability of escaping due to the formation of a stochastic layer which fosters transport. We use separatrix-map techniques to calculate the gain in the probability of escaping.

Miniaturization effect of electroosmotic self-propulsive microswimmer powered by biofuel cell

For future medical microrobotics, we have proposed the concept of the electroosmotic self-propulsive microswimmer powered by biofuel cell. According to the derived theoretical model, its self-propulsion velocity is inversely proportional to the length of the microswimmer, while it is proportional to the open circuit potential generated by the biofuel cell which does not depend on its size. Therefore, under conditions where those mechanisms work, it can be expected that the smaller its microswimmer size, the faster its self-propulsion velocity. Because of its remarkable feature, this concept is considered to be suitable as propulsion mechanisms for future medical microrobots to move inside the human body through the vascular system, including capillaries. We have already proved the mechanisms by observing the several 10 μm/s velocity of 100 μm prototypes fabricated by the optical photolithography using several photomasks and alignment steps. However, the standard photolithography was not suitable for further miniaturization of prototypes due to its insufficient resolution. In this research, we adopted femtosecond-laser 3D microlithography for multi-materials composing of the conductive polymer composites and nonconductive polymer composite and succeeded in fabricating 10 μm prototypes. Then we demonstrated more than 100 μm/s velocity of the prototype experimentally and proved its validity of the smaller and faster feature.

Active particles in noninertial frames: How to self-propel on a carousel.

Typically the motion of self-propelled active particles is described in a quiescent environment establishing an inertial frame of reference. Here we assume that friction, self-propulsion, and fluctuations occur relative to a noninertial frame and thereby the active Brownian motion model is generalized to noninertial frames. First, analytical solutions are presented for the overdamped case, both for linear swimmers and for circle swimmers. For a frame rotating with constant angular velocity ("carousel"), the resulting noise-free trajectories in the static laboratory frame are trochoids if these are circles in the rotating frame. For systems governed by inertia, such as vibrated granulates or active complex plasmas, centrifugal and Coriolis forces become relevant. For both linear and circling self-propulsion, these forces lead to out-spiraling trajectories which for long times approach a spira mirabilis. This implies that a self-propelled particle will typically leave a rotating carousel. A navigation strategy is proposed to avoid this expulsion, by adjusting the self-propulsion direction at will. For a particle, initially quiescent in the rotating frame, it is shown that this strategy only works if the initial distance to the rotation center is smaller than a critical radius R_{c} which scales with the self-propulsion velocity. Possible experiments to verify the theoretical predictions are discussed.

Additivity and density fluctuations in Vicsek-like models of self-propelled particles.

We study coarse-grained density fluctuations in the disordered phase of the paradigmatic Vicsek-like models of self-propelled particles with alignment interactions and random self-propulsion velocities. By numerically integrating a fluctuation-response relation-the direct consequence of an additivity property-we compute logarithm of the large-deviation probabilities of the coarse-grained subsystem density, while the system is in the disordered fluid phase with vanishing macroscopic velocity. The large-deviation probabilities, computed within additivity, agree remarkably well with that obtained from direct microscopic simulations of the models. Our results provide evidence of the existence of an equilibriumlike chemical potential, which governs the coarse-grained density fluctuations in the Vicsek-like models. Moreover, comparison of the particle-number fluctuations among several self-propelled particle systems suggests a common mechanism through which the number fluctuations arise in such systems.

Active Brownian ring polymers.

The conformational and dynamical properties of semiflexible active Brownian ring polymers are investigated analytically. A ring is described by the Gaussian semiflexible polymer model accounting for the finite contour length. Activity is implemented by a Gaussian, non-Markovian stochastic process resembling either an external nonthermal force or a local self-propulsion velocity as for an active Ornstein-Uhlenbeck particle. Specifically, the fluctuation spectrum of normal-mode amplitudes is analyzed. At elevated activities, flexible (tension) modes dominate over bending modes even for semiflexible rings, corresponding to enhanced conformational fluctuations. The fluctuation spectrum exhibits a crossover from a quadratic to a quartic dependence on the mode number with increasing mode number, originating from intramolecular tension, but the relaxation behavior is either dominated by intra-polymer processes or the active stochastic process. A further increase in activity enhances fluctuations at large length scales at the expense of reduced fluctuations at small scales. Conformationally, the mean square ring diameter exhibits swelling qualitatively comparable to liner polymers. The ring's diffusive dynamics is enhanced, and the mean square displacement shows distinct activity-determined regimes, consecutively, a ballistic, a subdiffusive, and a diffusive regime. The subdiffusive regime disappears gradually with increasing activity.

Current fluctuations of interacting active Brownian particles

We derive the distribution of particle currents for a system of interacting active Brownian particles in the long time limit using large deviation theory and a weighted many body expansion. We find the distribution is non-Gaussian, except in the limit of passive particles. The non-Gaussian fluctuations can be understood from the effective potential the particles experience when conditioned on a given current. This potential suppresses fluctuations of the particles orientations and surrounding density, aligning particles and reducing their effective drag. From the distribution of currents, we compute the diffusion coefficient, which is in excellent agreement with molecular dynamics simulations over a range of self-propulsion velocities and densities. We show that mass transport is Fickian in that the diffusion constant determines the response of a small density gradient, and that nonlinear responses are similarly computable from the density dependence of the current distribution.

Shape dependent phoretic propulsion of slender active particles

We theoretically study the self-propulsion of a thin (slender) colloid driven by asymmetric chemical reactions on its surface at vanishing Reynolds number. Using the method of matched asymptotic expansions, we obtain the colloid self-propulsion velocity as a function of its shape and surface physico-chemical properties. The mechanics of self-phoresis for rod-like swimmers has a richer spectrum of behaviours than spherical swimmers due to the presence of two small length scales, the slenderness of the rod and the width of the slip layer. This leads to subtleties in taking the limit of vanishing slenderness. As a result, even for very thin rods, the distribution of curvature along the surface of the swimmer, namely its shape, plays a surprising role in determining the efficiency of propulsion. We find that thin cylindrical self-phoretic swimmers with blunt ends move faster than thin prolate spheroid shaped swimmers with the same aspect ratio.

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.