Active Refrigerators Powered by Inertia.

We present the operational principle for a refrigerator that uses inertial effects in active Brownian particles to locally reduce their (kinetic) temperature by 2 orders of magnitude below the environmental temperature. This principle exploits the peculiar but so-far unknown shape of the phase diagram of inertial active Brownian particles to initiate motility-induced phase separation in the targeted cooling regime only. Remarkably, active refrigerators operate without requiring isolating walls opening the route toward using them to systematically absorb and trap, e.g., toxic substances from the environment.

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.

Motility-Induced Temperature Difference in Coexisting Phases.

Unlike in thermodynamic equilibrium where coexisting phases always have the same temperature, here we show that systems comprising "active" self-propelled particles can self-organize into two coexisting phases at different kinetic temperatures, which are separated from each other by a sharp and persistent temperature gradient. Contrasting previous studies that have focused on overdamped descriptions of active particles, we show that a "hot-cold coexistence" occurs if and only if accounting for inertia, which is significant, e.g., in activated dusty plasmas, microflyers, whirling fruits, or beetles at interfaces. Our results exemplify a route to use active particles to create a self-sustained temperature gradient across coexisting phases. This phenomenon is fundamentally beyond equilibrium physics and is accompanied by a slow coarsening law with an exponent significantly smaller than the universal 1/3 exponent seen in both equilibrium systems and overdamped active Brownian particles.

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.

Moiré and honeycomb lattices through self-assembly of hard-core/soft-shell microgels: experiment and simulation.

Control over microstructure and interparticle spacing in substrate-supported colloidal arrangements is a key challenge in colloidal self-assembly. We demonstrate here the preparation of Moiré and honeycomb monolayer lattices from core/shell microgels with rigid inorganic cores and soft, deformable hydrogel shells. These structures were realized by the sequential double deposition of freely floating monolayers from the air/water interface onto the same, centimetre-scale substrate. Due to the soft and deformable character of the hydrogel shells, the second applied monolayer fully settles into the same plane as the first monolayer. The resulting structural motif is determined by the drying conditions applied to the second deposition step. We support our experimental findings by Brownian dynamics simulations and provide insights into the structure formation process.

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.

Nonergodicity parameters of confined hard-sphere glasses.

Within a recently developed mode-coupling theory for fluids confined to a slit we elaborate numerical results for the long-time limits of suitably generalized intermediate scattering functions. The theory requires as input the density profile perpendicular to the plates, which we obtain from density functional theory within the fundamental-measure framework, as well as symmetry-adapted static structure factors, which can be calculated relying on the inhomogeneous Percus-Yevick closure. Our calculations for the nonergodicity parameters for both the collective as well as for the self motion are in qualitative agreement with our extensive event-driven molecular dynamics simulations for the intermediate scattering functions for slightly polydisperse hard-sphere systems at high packing fraction. We show that the variation of the nonergodicity parameters as a function of the wavenumber correlates with the in-plane static structure factors, while subtle effects become apparent in the structure factors and relaxation times of higher mode indices. A criterion to predict the multiple reentrant from the variation of the in-plane static structure is presented.

Heterogeneous shear in hard sphere glasses.

There is growing evidence that the flow of driven amorphous solids is not homogeneous, even if the macroscopic stress is constant across the system. Via event-driven molecular dynamics simulations of a hard sphere glass, we provide the first direct evidence for a correlation between the fluctuations of the local volume fraction and the fluctuations of the local shear rate. Higher shear rates do preferentially occur at regions of lower density and vice versa. The temporal behavior of fluctuations is governed by a characteristic time scale, which, when measured in units of strain, is independent of shear rate in the investigated range. Interestingly, the correlation volume is also roughly constant for the same range of shear rates. A possible connection between these two observations is discussed.

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.

A geometric criterion for the optimal spreading of active polymers in porous media.

Efficient navigation through disordered, porous environments poses a major challenge for swimming microorganisms and future synthetic cargo-carriers. We perform Brownian dynamics simulations of active stiff polymers undergoing run-reverse dynamics, and so mimic bacterial swimming, in porous media. In accord with experiments of Escherichia coli, the polymer dynamics are characterized by trapping phases interrupted by directed hopping motion through the pores. Our findings show that the spreading of active agents in porous media can be optimized by tuning their run lengths, which we rationalize using a coarse-grained model. More significantly, we discover a geometric criterion for the optimal spreading, which emerges when their run lengths are comparable to the longest straight path available in the porous medium. Our criterion unifies results for porous media with disparate pore sizes and shapes and for run-and-tumble polymers. It thus provides a fundamental principle for optimal transport of active agents in densely-packed biological and environmental settings.

Multiple reentrant glass transitions in confined hard-sphere glasses.

Glass-forming liquids exhibit a rich phenomenology upon confinement. This is often related to the effects arising from wall-fluid interactions. Here we focus on the interesting limit where the separation of the confining walls becomes of the order of a few particle diameters. For a moderately polydisperse, densely packed hard-sphere fluid confined between two smooth hard walls, we show via event-driven molecular dynamics simulations the emergence of a multiple reentrant glass transition scenario upon a variation of the wall separation. Using thermodynamic relations, this reentrant phenomenon is shown to persist also under constant chemical potential. This allows straightforward experimental investigation and opens the way to a variety of applications in micro- and nanotechnology, where channel dimensions are comparable to the size of the contained particles. The results are in line with theoretical predictions obtained by a combination of density functional theory and the mode-coupling theory of the glass transition.

Correlations of plasticity in sheared glasses.

In a recent paper [Mandal et al., Phys. Rev. E 88, 022129 (2013)], the nature of spatial correlations of plasticity in hard-sphere glasses was addressed both via computer simulations and in experiments. It was found that the experimentally obtained correlations obey a power law, whereas the correlations from simulations are better fitted by an exponential decay. We here provide direct evidence-via simulations of a hard-sphere glass in two dimensions (2D)-that this discrepancy is a consequence of the finite system size in the 3D simulations. By extending the study to a 2D soft disk model at zero temperature [Durian, Phys. Rev. Lett. 75, 4780 (1995)], the robustness of the power-law decay in sheared amorphous solids is underlined. Deviations from a power law occur when either reducing the packing fraction towards the supercooled regime in the case of hard spheres or changing the dissipation mechanism from contact dissipation to a mean-field-type drag in the case of soft disks.

Single-particle fluctuations and directional correlations in driven hard-sphere glasses.

Via event-driven molecular dynamics simulations and experiments, we study the packing-fraction and shear-rate dependence of single-particle fluctuations and dynamic correlations in hard-sphere glasses under shear. At packing fractions above the glass transition, correlations increase as shear rate decreases: the exponential tail in the distribution of single-particle jumps broadens and dynamic four-point correlations increase. Interestingly, however, upon decreasing the packing fraction, a broadening of the exponential tail is also observed, while dynamic heterogeneity is shown to decrease. An explanation for this behavior is proposed in terms of a competition between shear and thermal fluctuations. Building upon our previous studies [Chikkadi et al., Europhys. Lett. 100, 56001 (2012)], we further address the issue of anisotropy of the dynamic correlations.