Characterization and Control of the Run-and-Tumble Dynamics of Escherichia Coli.

We characterize the full spatiotemporal gait of populations of swimming Escherichia coli using renewal processes to analyze the measurements of intermediate scattering functions. This allows us to demonstrate quantitatively how the persistence length of an engineered strain can be controlled by a chemical inducer and to report a controlled transition from perpetual tumbling to smooth swimming. For wild-type E. coli, we measure simultaneously the microscopic motility parameters and the large-scale effective diffusivity, hence quantitatively bridging for the first time small-scale directed swimming and macroscopic diffusion.

Learning how to find targets in the micro-world: the case of intermittent active Brownian particles.

Finding the best strategy to minimize the time needed to find a given target is a crucial task both in nature and in reaching decisive technological advances. By considering learning agents able to switch their dynamics between standard and active Brownian motion, here we focus on developing effective target-search behavioral policies for microswimmers navigating a homogeneous environment and searching for targets of unknown position. We exploit projective simulation, a reinforcement learning algorithm, to acquire an efficient stochastic policy represented by the probability of switching the phase, i.e. the navigation mode, in response to the type and the duration of the current phase. Our findings reveal that the target-search efficiency increases with the particle's self-propulsion during the active phase and that, while the optimal duration of the passive case decreases monotonically with the activity, the optimal duration of the active phase displays a non-monotonic behavior.

Thermodynamic properties of quasi-one-dimensional fluids.

We calculate thermodynamic and structural quantities of a fluid of hard spheres of diameter σ in a quasi-one-dimensional pore with accessible pore width W smaller than σ by applying a perturbative method worked out earlier for a confined fluid in a slit pore [Franosch et al. Phys. Rev. Lett. 109, 240601 (2012)]. In a first step, we prove that the thermodynamic and a certain class of structural quantities of the hard-sphere fluid in the pore can be obtained from a purely one-dimensional fluid of rods of length σ with a central hard core of size σW=σ2-W2 and a soft part at both ends of length (σ - σW)/2. These rods interact via effective k-body potentials veff(k) (k ≥ 2). The two- and the three-body potential will be calculated explicitly. In a second step, the free energy of this effective one-dimensional fluid is calculated up to leading order in (W/σ)2. Explicit results for, e.g., the perpendicular pressure, surface tension, and the density profile as a function of density, temperature, and pore width are presented and partly compared with results from Monte-Carlo simulations and standard virial expansions. Despite the perturbative character of our approach, it encompasses the singularity of the thermodynamic quantities at the jamming transition point.

Thermophoresis beyond Local Thermodynamic Equilibrium.

We measure the thermophoresis of polysterene beads over a wide range of temperature gradients and find a pronounced nonlinear phoretic characteristic. The transition to the nonlinear behavior is marked by a drastic slowing down of thermophoretic motion and is characterized by a Péclet number of order unity as corroborated for different particle sizes and salt concentrations. The data follow a single master curve covering the entire nonlinear regime for all system parameters upon proper rescaling of the temperature gradients with the Péclet number. For low thermal gradients, the thermal drift velocity follows a theoretical linear model relying on the local-equilibrium assumption, while linear theoretical approaches based on hydrodynamic stresses, ignoring fluctuations, predict significantly slower thermophoretic motion for steeper thermal gradients. Our findings suggest that thermophoresis is fluctuation dominated for small gradients and crosses over to a drift-dominated regime for larger Péclet numbers in striking contrast to electrophoresis.

Erratum: Fluids in Extreme Confinement [Phys. Rev. Lett. 109, 240601 (2012)].

This corrects the article DOI: 10.1103/PhysRevLett.109.240601.

Analytic Solution of an Active Brownian Particle in a Harmonic Well.

We provide an analytical solution for the time-dependent Fokker-Planck equation for a two-dimensional active Brownian particle trapped in an isotropic harmonic potential. Using the passive Brownian particle as basis states we show that the Fokker-Planck operator becomes lower diagonal, implying that the eigenvalues are unaffected by the activity. The propagator is then expressed as a combination of the equilibrium eigenstates with weights obeying exact iterative relations. We show that for the low-order correlation functions, such as the positional autocorrelation function, the recursion terminates at finite order in the Péclet number, allowing us to generate exact compact expressions and derive the velocity autocorrelation function and the time-dependent diffusion coefficient. The nonmonotonic behavior of latter quantities serves as a fingerprint of the nonequilibrium dynamics.

Resonant Diffusion of a Gravitactic Circle Swimmer.

We investigate the dynamics of a single chiral active particle subject to an external torque due to the presence of a gravitational field. Our computer simulations reveal an arbitrarily strong increase of the long-time diffusivity of the gravitactic agent when the external torque approaches the intrinsic angular drift. We provide analytic expressions for the mean-square displacement in terms of eigenfunctions and eigenvalues of the noisy-driven-pendulum problem. The pronounced maximum in the diffusivity is then rationalized by the vanishing of the lowest eigenvalues of the Fokker-Planck equation for the angular motion as the rotational diffusion decreases and the underlying classical bifurcation is approached. A simple harmonic-oscillator picture for the barrier-dominated motion provides a quantitative description for the onset of the resonance while its range of validity is determined by the crossover to a critical-fluctuation-dominated regime.

Layering and packing in confined colloidal suspensions.

Confinement modifies the properties of a fluid. The particle density is no longer uniform but depends on the distance from the walls; parallel to the walls, layers with different particle densities form. This affects the particle packing in the layers. We investigated colloidal fluids with volume fractions between 0.19 and 0.32 confined between rough walls. The particle-particle interactions were dominated by hard-sphere interactions but also contained some electrostatic interactions. The particle locations were determined using confocal microscopy and served to calculate the density profile, radial distribution function, anisotropic and generalized structure factors but also to characterize the arrangement of the wall particles leading to the roughness of the walls. The experiments are complemented by molecular dynamics simulations and fundamental-measure theory. While the particle arrangements are mainly controlled by hard-core interactions, electrostatic interactions become more important as the volume fraction decreases. Furthermore, the structure of the rough walls was varied and found to have a significant effect on the fluid structure. An appropriate representation of the rough walls in the simulations is thus crucial to successfully mimic the experiments.

Target Search of Active Agents Crossing High Energy Barriers.

Target search by active agents in rugged energy landscapes has remained a challenge because standard enhanced sampling methods do not apply to irreversible dynamics. We overcome this nonequilibrium rare-event problem by developing an algorithm generalizing transition-path sampling to active Brownian dynamics. This method is exemplified and benchmarked for a paradigmatic two-dimensional potential with a high barrier. We find that even in such a simple landscape the structure and kinetics of the ensemble of transition paths changes drastically in the presence of activity. Indeed, active Brownian particles reach the target more frequently than passive Brownian particles, following longer and counterintuitive search patterns.

Optimal navigation strategy of active Brownian particles in target-search problems.

We investigate exploration patterns of a microswimmer, modeled as an active Brownian particle, searching for a target region located in a well of an energy landscape and separated from the initial position of the particle by high barriers. We find that the microswimmer can enhance its success rate in finding the target by tuning its activity and its persistence in response to features of the environment. The target-search patterns of active Brownian particles are counterintuitive and display characteristics robust to changes in the energy landscape. On the contrary, the transition rates and transition-path times are sensitive to the details of the specific energy landscape. In striking contrast to the passive case, the presence of additional local minima does not significantly slow down the active-target-search dynamics.

Crowding-Enhanced Diffusion: An Exact Theory for Highly Entangled Self-Propelled Stiff Filaments.

We study a strongly interacting crowded system of self-propelled stiff filaments by event-driven Brownian dynamics simulations and an analytical theory to elucidate the intricate interplay of crowding and self-propulsion. We find a remarkable increase of the effective diffusivity upon increasing the filament number density by more than one order of magnitude. This counterintuitive "crowded is faster" behavior can be rationalized by extending the concept of a confining tube pioneered by Doi and Edwards for highly entangled, crowded, passive to active systems. We predict a scaling theory for the effective diffusivity as a function of the Péclet number and the filament number density. Subsequently, we show that an exact expression derived for a single self-propelled filament with motility parameters as input can predict the nontrivial spatiotemporal dynamics over the entire range of length and timescales. In particular, our theory captures short-time diffusion, directed swimming motion at intermediate times, and the transition to complete orientational relaxation at long times.

Heterogeneities Shape Passive Intracellular Transport.

A living cell's interior is one of the most complex and intrinsically dynamic systems, providing an elaborate interplay between cytosolic crowding and ATP-driven motion that controls cellular functionality. Here, we investigated two distinct fundamental features of the merely passive, non-biomotor-shuttled material transport within the cytoplasm of Dictyostelium discoideum cells: the anomalous non-linear scaling of the mean-squared displacement of a 150-nm-diameter particle and non-Gaussian distribution of increments. Relying on single-particle tracking data of 320,000 data points, we performed a systematic analysis of four possible origins for non-Gaussian transport: 1) sample-based variability, 2) rarely occurring strong motion events, 3) ergodicity breaking/aging, and 4) spatiotemporal heterogeneities of the intracellular medium. After excluding the first three reasons, we investigated the remaining hypothesis of a heterogeneous cytoplasm as cause for non-Gaussian transport. A, to our knowledge, novel fit model with randomly distributed diffusivities implementing medium heterogeneities suits the experimental data. Strikingly, the non-Gaussian feature is independent of the cytoskeleton condition and lag time. This reveals that efficiency and consistency of passive intracellular transport and the related anomalous scaling of the mean-squared displacement are regulated by cytoskeleton components, whereas cytoplasmic heterogeneities are responsible for the generic, non-Gaussian distribution of increments.

Persistent Anti-Correlations in Brownian Dynamics Simulations of Dense Colloidal Suspensions Revealed by Noise Suppression.

Transport properties of a hard-sphere colloidal fluid are investigated by Brownian dynamics simulations. We implement a novel algorithm for the time-dependent velocity-autocorrelation function (VACF) essentially eliminating the noise of the bare random motion. The measured VACF reveals persistent anti-correlations manifested by a negative algebraic power-law tail t^{-5/2} at all densities. At small packing fractions the simulations fully agree with the analytic low-density prediction, yet the amplitude of the tail becomes dramatically suppressed as the packing fraction is increased. The mode-coupling theory of the glass transition provides a qualitative explanation for the strong variation in terms of the static compressibility as well as the slowing down of the structural relaxation.

Anomalous transport in the soft-sphere Lorentz model.

The sensitivity of anomalous transport in crowded media to the form of the inter-particle interactions is investigated through computer simulations. We extend the highly simplified Lorentz model towards realistic natural systems by modeling the interactions between the tracer and the obstacles with a smooth potential. We find that the anomalous transport at the critical point happens to be governed by the same universal exponent as for hard exclusion interactions, although the mechanism of how narrow channels are probed is rather different. The scaling behavior of simulations close to the critical point confirm this exponent. Our result indicates that the simple Lorentz model may be applicable to describing the fundamental properties of long-range transport in real crowded environments.

Ideal circle microswimmers in crowded media.

Microswimmers are exposed in nature to crowded environments and their transport properties depend in a subtle way on the interaction with obstacles. Here, we investigate a model for a single ideal circle swimmer exploring a two-dimensional disordered array of impenetrable obstacles. The microswimmer moves on circular orbits in the freely accessible space and follows the surface of an obstacle for a certain time upon collision. Depending on the obstacle density and the radius of the circular orbits, the microswimmer displays either long-range transport or is localized in a finite region. We show that there are transitions from two localized states to a diffusive state each driven by an underlying static percolation transition. We determine the non-equilibrium state diagram and calculate the mean-square displacements and diffusivities by computer simulations. Close to the transition lines transport becomes subdiffusive which is rationalized as a dynamic critical phenomenon.

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.

Bimodal probability density characterizes the elastic behavior of a semiflexible polymer in 2D under compression.

We explore the elastic behavior of a wormlike chain under compression in terms of exact solutions for the associated probability densities. Strikingly, the probability density for the end-to-end distance projected along the applied force exhibits a bimodal shape in the vicinity of the critical Euler buckling force of an elastic rod, reminiscent of the smeared discontinuous phase transition of a finite system. These two modes reflect the almost stretched and the S-shaped configuration of a clamped polymer induced by the compression. Moreover, we find a bimodal shape of the probability density for the transverse fluctuations of the free end of a cantilevered polymer as fingerprint of its semiflexibility. In contrast to clamped polymers, free polymers display a circularly symmetric probability density and their distributions are identical for compression and stretching forces.

Glassy relaxation slows down by increasing mobility.

We find a striking trend reversal in the relaxation dynamics of mixtures with strong dynamical asymmetry. Simulations by both Brownian and Newtonian dynamics reveal that in mixtures of fast and slow hard spheres, above a critical density, the dynamics becomes slower upon increasing the mobility of the fast particles. Below that density, the same increase in mobility speeds up the dynamics. The critical density itself can be identified with the glass transition of the mode-coupling theory that does not depend on the dynamical asymmetry. The asymptotic dynamics close to the critical density is universal, but strong pre-asymptotic effects prevail in particular when the dynamical asymmetry also involves size asymmetry. Our observations reconcile earlier findings, where a strong dependence on kinetic parameters was found for the glassy dynamics, with the paradigm that the glass transition is determined by the properties of configuration space alone.

Diverging Time Scale in the Dimensional Crossover for Liquids in Strong Confinement.

We study a strongly interacting dense hard-sphere system confined between two parallel plates by event-driven molecular dynamics simulations to address the fundamental question of the nature of the 3D to 2D crossover. As the fluid becomes more and more confined the dynamics of the transverse and lateral degrees of freedom decouple, which is accompanied by a diverging time scale separating 2D from 3D behavior. Relying on the time-correlation function of the transversal kinetic energy, the scaling behavior and its density dependence is explored. Surprisingly, our simulations reveal that its time dependence becomes purely exponential such that memory effects can be ignored. We rationalize our findings quantitatively in terms of an analytic theory which becomes exact in the limit of strong confinement.

Time-Dependent Fluctuations and Superdiffusivity in the Driven Lattice Lorentz Gas.

We consider a tracer particle on a lattice in the presence of immobile obstacles. Starting from equilibrium, a force pulling on the particle is switched on, driving the system to a new stationary state. We solve for the complete transient dynamics of the fluctuations of the tracer position along the direction of the force. The analytic result, exact in first order of the obstacle density and for arbitrarily strong driving, is compared to stochastic simulations. Upon strong driving, the fluctuations grow superdiffusively for intermediate times; however, they always become diffusive in the stationary state. The diffusion constant is nonanalytic for small driving and is enhanced by orders of magnitude by increasing the force.