Biaxial nematic order in fundamental measure theory.

Liquid crystals consisting of biaxial particles can exhibit a much richer phase behavior than their uniaxial counterparts. Usually, one has to rely on simulation results to understand the phase diagram of these systems since very few analytical results exist. In this work, we apply fundamental measure theory, which allows us to derive free energy functionals for hard particles from first principles and with high accuracy, to systems of hard cylinders, cones, and spherotriangles. We provide a general recipe for incorporating biaxial liquid crystal order parameters into fundamental measure theory and use this framework to obtain the phase boundaries for the emergence of orientational order in the considered systems. Our results provide insights into the phase behavior of biaxial nematic liquid crystals and, in particular, into methods for their analytical investigation.

Collective self-optimization of communicating active particles.

The quest for how to collectively self-organize in order to maximize the survival chances of the members of a social group requires finding an optimal compromise between maximizing the well-being of an individual and that of the group. Here we develop a minimal model describing active individuals which consume or produce, and respond to a shared resource-such as the oxygen concentration for aerotactic bacteria or the temperature field for penguins-while urging for an optimal resource value. Notably, this model can be approximated by an attraction-repulsion model, but, in general, it features many-body interactions. While the former prevents some individuals from closely approaching the optimal value of the shared "resource field," the collective many-body interactions induce aperiodic patterns, allowing the group to collectively self-optimize. Arguably, the proposed optimal field-based collective interactions represent a generic concept at the interface of active matter physics, collective behavior, and microbiological chemotaxis. This concept might serve as a useful ingredient to optimize ensembles of synthetic active agents or to help unveil aspects of the communication rules which certain social groups use to maximize their survival chances.

Glassy Dynamics in Chiral Fluids.

Chiral active matter is enjoying a rapid increase of interest, spurred by the rich variety of asymmetries that can be attained in, e.g., the shape or self-propulsion mechanism of active particles. Though this has already led to the observance of so-called chiral crystals, active chiral glasses remain largely unexplored. A possible reason for this could be the naive expectation that interactions dominate the glassy dynamics and the details of the active motion become increasingly less relevant. Here, we show that quite the opposite is true by studying the glassy dynamics of interacting chiral active Brownian particles. We demonstrate that when our chiral fluid is pushed to glassy conditions, it exhibits highly nontrivial dynamics, especially compared to a standard linear active fluid such as common active Brownian particles. Despite the added complexity, we are still able to present a full rationalization for all identified dynamical regimes. Most notably, we introduce a new "hammering" mechanism, unique to rapidly spinning particles in high-density conditions, that can fluidize a chiral active solid.

Chiral active matter in external potentials.

We investigate the interplay between chirality and confinement induced by the presence of an external potential. For potentials having radial symmetry, the circular character of the trajectories induced by the chiral motion reduces the spatial fluctuations of the particle, thus providing an extra effective confining mechanism, that can be interpreted as a lowering of the effective temperature. In the case of non-radial potentials, for instance, with an elliptic shape, chirality displays a richer scenario. Indeed, the chirality can break the parity symmetry of the potential that is always fulfilled in the non-chiral system. The probability distribution displays a strong non-Maxwell-Boltzmann shape that emerges in cross-correlations between the two Cartesian components of the position, that vanishes in the absence of chirality or when radial symmetry of the potential is restored. These results are obtained by considering two popular models in active matter, i.e. chiral Active Brownian particles and chiral active Ornstein-Uhlenbeck particles.

Motility-induced shear thickening in dense colloidal suspensions.

Phase transitions and collective dynamics of active colloidal suspensions are fascinating topics in soft matter physics, particularly for out-of-equilibrium systems, which can lead to rich rheological behaviours in the presence of steady shear flow. Here the role of self-propulsion in the rheological response of a dense colloidal suspension is investigated by using particle-resolved Brownian dynamics simulations. First, the combined effect of activity and shear in the solid on the disordering transition of the suspension is analyzed. While both self-propulsion and shear destroy order and melt the system if critical values are exceeded, self-propulsion largely lowers the stress barrier needed to be overcome during the transition. We further explore the rheological response of the active sheared system once a steady state is reached. While passive suspensions show a solid-like behaviour, turning on particle motility fluidises the system. At low self-propulsion, the active suspension behaves in the steady state as a shear-thinning fluid. Increasing the self-propulsion changes the behaviour of the liquid from shear-thinning to shear-thickening. We attribute this to clustering in the sheared suspensions induced by motility. This new phenomenon of motility-induced shear thickening (MIST) can be used to tailor the rheological response of colloidal suspensions.

Steering self-organisation through confinement.

Self-organisation is the spontaneous emergence of spatio-temporal structures and patterns from the interaction of smaller individual units. Examples are found across many scales in very different systems and scientific disciplines, from physics, materials science and robotics to biology, geophysics and astronomy. Recent research has highlighted how self-organisation can be both mediated and controlled by confinement. Confinement is an action over a system that limits its units' translational and rotational degrees of freedom, thus also influencing the system's phase space probability density; it can function as either a catalyst or inhibitor of self-organisation. Confinement can then become a means to actively steer the emergence or suppression of collective phenomena in space and time. Here, to provide a common framework and perspective for future research, we examine the role of confinement in the self-organisation of soft-matter systems and identify overarching scientific challenges that need to be addressed to harness its full scientific and technological potential in soft matter and related fields. By drawing analogies with other disciplines, this framework will accelerate a common deeper understanding of self-organisation and trigger the development of innovative strategies to steer it using confinement, with impact on, e.g., the design of smarter materials, tissue engineering for biomedicine and in guiding active matter.

Density functional approach to elastic properties of three-dimensional dipole-spring models for magnetic gels.

Magnetic gels are composite materials consisting of a polymer matrix and embedded magnetic particles. Those are mechanically coupled to each other, giving rise to the magnetostrictive effects as well as to a controllable overall elasticity responsive to external magnetic fields. Due to their inherent composite and thereby multiscale nature, a theoretical framework bridging different levels of description is indispensable for understanding the magnetomechanical properties of magnetic gels. In this study, we extend a recently developed density functional approach from two spatial dimensions to more realistic three-dimensional systems. Along these lines, we connect a mesoscopic characterization resolving the discrete structure of the magnetic particles to macroscopic continuum parameters of magnetic gels. In particular, we incorporate the long-range nature of the magnetic dipole-dipole interaction and consider the approximate incompressibility of the embedding media and relative rotations with respect to an external magnetic field breaking rotational symmetry. We then probe the shape of the model system in its reference state, confirming the dependence of magnetostrictive effects on the configuration of the magnetic particles and on the shape of the considered sample. Moreover, calculating the elastic and rotational coefficients on the basis of our mesoscopic approach, we examine how the macroscopic types of behavior are related to the mesoscopic properties. Implications for real systems of random particle configurations are also discussed.

Entropons as collective excitations in active solids.

The vibrational dynamics of solids is described by phonons constituting basic collective excitations in equilibrium crystals. Here, we consider a non-equilibrium active solid, formed by self-propelled particles, which bring the system into a non-equilibrium steady-state. We identify novel vibrational collective excitations of non-equilibrium (active) origin, which coexist with phonons and dominate over them when the system is far from equilibrium. These vibrational excitations are interpreted in the framework of non-equilibrium physics, in particular, stochastic thermodynamics. We call them "entropons" because they are the modes of spectral entropy production (at a given frequency and wave vector). The existence of entropons could be verified in future experiments on dense self-propelled colloidal Janus particles and granular active matter, as well as in living systems, such as dense cell monolayers.

Network topology of interlocked chiral particles.

Self-assembly of chiral particles with an L-shape is explored by Monte-Carlo computer simulations in two spatial dimensions. For sufficiently high packing densities in confinement, a carpet-like texture emerges due to the interlocking of L-shaped particles, resembling a distorted smectic liquid crystalline layer pattern. From the positions of either of the two axes of the particles, two different types of layers can be extracted, which form distinct but complementary entangled networks. These coarse-grained network structures are then analyzed from a topological point of view. We propose a global charge conservation law by using an analogy to uniaxial smectics and show that the individual network topology can be steered by both confinement and particle geometry. Our topological analysis provides a general classification framework for applications to other intertwined dual networks.

Anomalous Cooling and Overcooling of Active Colloids.

The phenomenon that a system at a hot temperature cools faster than at a warm temperature, referred to as the Mpemba effect, has recently been realized for trapped colloids. Here, we investigate the cooling and heating process of a self-propelled active colloid using numerical simulations and theoretical calculations with a model that can be directly tested in experiments. Upon cooling, activity induces a Mpemba effect and the active particle transiently escapes an effective temperature description. At the end of the cooling process the notion of temperature is recovered and the system can exhibit even smaller temperatures than its final temperature, a surprising phenomenon which we refer to as activity-induced overcooling.

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.

Collisions Enhance Self-Diffusion in Odd-Diffusive Systems.

It is generally believed that collisions of particles reduce the self-diffusion coefficient. Here we show that in odd-diffusive systems, which are characterized by diffusion tensors with antisymmetric elements, collisions surprisingly can enhance the self-diffusion. In these systems, due to an inherent curving effect, the motion of particles is facilitated, instead of hindered by collisions leading to a mutual rolling effect. Using a geometric model, we analytically predict the enhancement of the self-diffusion coefficient with increasing density. This counterintuitive behavior is demonstrated in the archetypal odd-diffusive system of Brownian particles under Lorentz force. We validate our findings by many-body Brownian dynamics simulations in dilute systems.

Dynamics of active particles with space-dependent swim velocity.

We study the dynamical properties of an active particle subject to a swimming speed explicitly depending on the particle position. The oscillating spatial profile of the swim velocity considered in this paper takes inspiration from experimental studies based on Janus particles whose speed can be modulated by an external source of light. We suggest and apply an appropriate model of an active Ornstein Uhlenbeck particle (AOUP) to the present case. This allows us to predict the stationary properties, by finding the exact solution of the steady-state probability distribution of particle position and velocity. From this, we obtain the spatial density profile and show that its form is consistent with the one found in the framework of other popular models. The reduced velocity distribution highlights the emergence of non-Gaussianity in our generalized AOUP model which becomes more evident as the spatial dependence of the velocity profile becomes more pronounced. Then, we focus on the time-dependent properties of the system. Velocity autocorrelation functions are studied in the steady-state combining numerical and analytical methods derived under suitable approximations. We observe a non-monotonic decay in the temporal shape of the velocity autocorrelation function which depends on the ratio between the persistence length and the spatial period of the swim velocity. In addition, we numerically and analytically study the mean square displacement and the long-time diffusion coefficient. The ballistic regime, observed in the small-time region, is deeply affected by the properties of the swim velocity landscape which induces also a crossover to a sub-ballistic but superdiffusive regime for intermediate times. Finally, the long-time diffusion coefficient decreases as the amplitude of the swim velocity oscillations increases because the diffusion is mainly determined by those regions where the particles are slow.

Brownian particles driven by spatially periodic noise.

We discuss the dynamics of a Brownian particle under the influence of a spatially periodic noise strength in one dimension using analytical theory and computer simulations. In the absence of a deterministic force, the Langevin equation can be integrated formally exactly. We determine the short- and long-time behaviour of the mean displacement (MD) and mean-squared displacement (MSD). In particular, we find a very slow dynamics for the mean displacement, scaling as [Formula: see text] with time t. Placed under an additional external periodic force near the critical tilt value we compute the stationary current obtained from the corresponding Fokker-Planck equation and identify an essential singularity if the minimum of the noise strength is zero. Finally, in order to further elucidate the effect of the random periodic driving on the diffusion process, we introduce a phase factor in the spatial noise with respect to the external periodic force and identify the value of the phase shift for which the random force exerts its strongest effect on the long-time drift velocity and diffusion coefficient.

A one-dimensional three-state run-and-tumble model with a 'cell cycle'.

We study a one-dimensional three-state run-and-tumble model motivated by the bacterium Caulobacter crescentus which displays a cell cycle between two non-proliferating mobile phases and a proliferating sedentary phase. Our model implements kinetic transitions between the two mobile and one sedentary states described in terms of their number densities, where mobility is allowed with different running speeds in forward and backward direction. We start by analyzing the stationary states of the system and compute the mean and squared-displacements for the distribution of all cells, as well as for the number density of settled cells. The latter displays a surprising super-ballistic scaling [Formula: see text] at early times. Including repulsive and attractive interactions between the mobile cell populations and the settled cells, we explore the stability of the system and employ numerical methods to study structure formation in the fully nonlinear system. We find traveling waves of bacteria, whose occurrence is quantified in a non-equilibrium state diagram.

Role of rotational inertia for collective phenomena in active matter.

We investigate the effect of rotational inertia on the collective phenomena of underdamped active systems and show that the increase of the moment of inertia of each particle favors non-equilibrium phase coexistence, known as motility induced phase separation, and counteracts its suppression due to translational inertia. Our conclusion is supported by a non-equilibrium phase diagram (in the plane spanned by rotational inertial time and translational inertial time) whose transition line is understood theoretically through scaling arguments. In addition, rotational inertia increases the correlation length of the spatial velocity correlations in the dense cluster. The fact that rotational inertia enhances collective phenomena, such as motility induced phase separation and spatial velocity correlations, is strongly linked to the increase of rotational persistence. Moreover, large moments of inertia induce non-monotonic temporal (cross) correlations between translational and rotational degrees of freedom truly absent in non-equilibrium systems.

Structural correlations in highly asymmetric binary charged colloidal mixtures.

We explore structural correlations of strongly asymmetric mixtures of binary charged colloids within the primitive model of electrolytes considering large charge and size ratios of 10 and higher. Using computer simulations with explicit microions, we obtain the partial pair correlation functions between the like-charged colloidal macroions. Interestingly the big-small correlation peak amplitude is smaller than that of the big-big and small-small macroion correlation peaks, which is unfamiliar for additive repulsive interactions. Extracting optimal effective microion-averaged pair interactions between the macroions, we find that on top of non-additive Yukawa-like repulsions an additional shifted Gaussian attractive potential between the small macroions is needed to accurately reproduce their correct pair correlations. For small Coulomb couplings, the behavior is reproduced in a coarse-grained theory with microion-averaged effective interactions between the macroions. However, the accuracy of the theory deteriorates with increasing Coulomb coupling. We emphasize the relevance of entropic interactions exerted by the microions on the macroions. Our results are experimentally verifiable in binary mixtures of micron-sized colloids and like-charge nanoparticles.

Topological fine structure of smectic grain boundaries and tetratic disclination lines within three-dimensional smectic liquid crystals.

Observing and characterizing the complex ordering phenomena of liquid crystals subjected to external constraints constitutes an ongoing challenge for chemists and physicists alike. To elucidate the delicate balance appearing when the intrinsic positional order of smectic liquid crystals comes into play, we perform Monte-Carlo simulations of rod-like particles in a range of cavities with a cylindrical symmetry. Based on recent insights into the topology of smectic orientational grain boundaries in two dimensions, we analyze the emerging three-dimensional defect structures from the perspective of tetratic symmetry. Using an appropriate three-dimensional tetratic order parameter constructed from the Steinhardt order parameters, we show that those grain boundaries can be interpreted as a pair of tetratic disclination lines that are located on the edges of the nematic domain boundary. Thereby, we shed light on the fine structure of grain boundaries in three-dimensional confined smectics.

Structural correlations and phase separation in binary mixtures of charged and neutral colloids.

Structural correlations between colloids in a binary mixture of charged and neutral spheres are calculated using computer simulations of the primitive model with explicit microions. For aqueous suspensions in a solvent of large dielectric constant, the traditional Derjaguin-Landau-Vervey-Overbeek (DLVO) theory of linear screening, supplemented with hard core interactions, reproduces the structural correlations obtained in the full primitive model quantitatively. However, for lower dielectric contrast, the increasing Coulomb coupling between the counterions and charged colloids results in strong deviations. We find a fluid-fluid phase separation into two regions either rich in charged or rich in neutral colloids, which is not reproduced by DLVO theory. Our results are verifiable in scattering or real-space experiments on charged-neutral mixtures of colloids or nanoparticles.

Active chiral molecules in activity gradients.

While the behavior of active colloidal molecules is well studied now for constant activity, the effect of activity gradients is much less understood. Here, we explore one of the simplest molecules in activity gradients, namely active chiral dimers composed of two particles with opposite active torques of the same magnitude. We show analytically that with increasing torque, the dimer switches its behavior from antichemotactic to chemotactic. The origin of the emergent chemotaxis is the cooperative exploration of an activity gradient by the two particles. While one of the particles moves into higher activity regions, the other moves towards lower activity regions, resulting in a net bias in the direction of higher activity. We do a comparative study of chiral active particles with charged Brownian particles under a magnetic field and show that despite the fundamental similarity in terms of their odd-diffusive behavior, their dynamics and chemotactic behavior are generally not equivalent. We demonstrate this explicitly in a dimer composed of oppositely charged active particles, which remains antichemotactic to any magnetic field.