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In the past years, the amount of research on active matter has grown extremely rapidly, a fact that is reflected in particular by the existence of more than 600 review articles on this topic. Moreover, the field has become very diverse, ranging from theoretical studies of the statistical mechanics of active particles to applied work on medical applications of microrobots and from biological systems to artificial swimmers. This makes it very difficult to get an overview over the field as a whole. Here, we provide such an overview in the form of a metareview article that surveys the existing review articles on active matter. Thereby, this article provides an introduction to the various subdisciplines of active matter science and constitutes a useful starting point for finding literature about a specific topic., Comment: 28 pages, 2 figures, 646 references

Nonreciprocal forces violating Newton's third law are common in a plethora of nonequilibrium situations ranging from predator-prey systems to the swarming of birds and effective colloidal interactions under flow. While many recent studies have focused on two species with nonreciprocal coupling, much less is examined for the basic single-component system breaking the actio and reactio equality of force within the same species. Here, we systematically derive the fundamental field theory of single-species nonreciprocal interactions from microscopic dynamics, leading to a generic framework termed Active Model N (N denoting nonreciprocity). We explore the rich dynamics of pattern formation in this intrinsic nonreciprocal system and the emergence of self-traveling states with persistent variation and flowing of active branched patterns. One particular new characteristic pattern is an interwoven self-knitting "yarn" structure with a unique feature of simultaneous development of micro- and bulk phase separations. The growth dynamics of a "ball-of-wool" active droplet towards these self-knitted yarn or branched states exhibits a crossover between different scaling behaviors. The mechanism underlying this distinct class of active phase separation is attributed to the interplay between force nonreciprocity and competition. Our predictions can be applied to various biological and artificial active matter systems controlled by single-species nonreciprocity., Comment: 25 pages, 7 figures

The hydrodynamics of thin films is typically described using phenomenological models whose connection to the microscopic particle dynamics is a subject of ongoing research. Existing methods based on density functional theory provide a good description of static thin films, but are not sufficient for understanding nonequilibrium dynamics. In this work, we present a microscopic derivation of the thin film equation using the Mori-Zwanzig projection operator formalism. This method allows to directly obtain the correct gradient dynamics structure along with microscopic expressions for the mobility and the free energy. Our results are verified against molecular dynamics simulations for both simple fluids and polymers., Comment: 14 pages, 4 figures

We study nonhelical nano- and microparticles that, through a particular shape, rotate when they are exposed to ultrasound. Employing acoustofluidic computer simulations, we investigate the flow field that is generated around these particles in the presence of a planar traveling ultrasound wave as well as the resulting propulsion force and torque of the particles. We study how the flow field and the propulsion force and torque depend on the particles' orientation relative to the propagation direction of the ultrasound wave. Furthermore, we show that the orientation-averaged propulsion force vanishes whereas the orientation-averaged propulsion torque is nonzero. Thus, we reveal that these particles can constitute nano- and microspinners that persistently rotate in isotropic ultrasound., Comment: 11 pages, 4 figures, 2 tables

Self-propelled particles in anisotropic environments can exhibit a motility that depends on their orientation. This dependence is relevant for a plethora of living organisms but difficult to study in controlled environments. Here, we present a macroscopic system of self-propelled vibrated granular particles on a striated substrate that displays orientation-dependent motility. An extension of the active Brownian motion model involving orientation-dependent motility and inertial effects reproduces and explains our experimental observations. The model can be applied to general $n$-fold symmetric anisotropy and can be helpful for predictive optimization of the dynamics of active matter in complex environments., Comment: 14 pages, 9 figures, 1 table

While the collective dynamics of spherical active Brownian particles is relatively well understood by now, the much more complex dynamics of nonspherical active particles still raises interesting open questions. Previous work has shown that the dynamics of rod-like or ellipsoidal active particles can differ significantly from that of spherical ones. Here, we obtain the full state diagram of active Brownian ellipsoids depending on the P\'eclet number and packing density via computer simulations. The system is found to exhibit a rich state behavior that includes cluster formation, local polar order, polar flocks, and disordered states. Moreover, we obtain numerical results and an analytical representation for the pair-distribution function of active ellipsoids. This function provides useful quantitative insights into the collective behavior of active particles with lower symmetry and has potential applications in the development of predictive theoretical models., Comment: 30 pages, 8 figures, 14 tables

The pair-distribution function, which provides information about correlations in a system of interacting particles, is one of the key objects of theoretical soft matter physics. In particular, it allows for microscopic insights into the phase behavior of active particles. While this function is by now well studied for two-dimensional active matter systems, the more complex and more realistic case of three-dimensional systems is not well understood by now. In this work, we analyze the full pair-distribution function of spherical active Brownian particles interacting via a Weeks-Chandler-Andersen potential in three spatial dimensions using Brownian dynamics simulations. Besides extracting the structure of the pair-distribution function from the simulations, we obtain an analytical representation for this function, parametrized by activity and concentration, which takes into account the symmetries of a homogeneous stationary state. Our results are useful as input to quantitative models of active Brownian particles and advance our understanding of the microstructure in dense active fluids., Comment: 22 pages, 8 figures, 8 tables

Employing acoustofluidic simulations, we study the propulsion of cone-shaped nano- and microparticles by a traveling ultrasound wave. In particular, we investigate how the acoustic propulsion of the particles depends on their size and the energy density and frequency of the ultrasound wave. Our results reveal that the flow field generated around the particles depends on all three of these parameters. The results also show that the propulsion velocity of a particle increases linearly with the particle size and energy density and that an increase of the sound frequency leads to an increase of the propulsion velocity for frequencies below about 1 MHz but to a decrease of the propulsion velocity for larger frequencies. These findings are compared with preliminary results from the literature., Comment: 19 pages, 8 figures, 2 tables

The worldwide COVID-19 pandemic has led to a significant growth of interest in the development of mathematical models that allow to describe effects such as social distancing measures, the development of vaccines, and mutations. Several of these models are based on concepts from soft matter theory. Considerably less well investigated is the reverse direction, i.e., how results from epidemiological research can be of interest for the physics of colloids and polymers. In this work, we consider the SIR-DDFT model, a combination of the susceptible-infected-recovered (SIR) model from epidemiology with dynamical density functional theory (DDFT) from nonequilibrium soft matter physics, which allows for an explicit modeling of social distancing. We extend the SIR-DDFT model both from an epidemiological perspective by incorporating vaccines, asymptomaticity, reinfections, and mutations, and from a soft matter perspective by incorporating noise and self-propulsion and by deriving a phase field crystal (PFC) model that allows for a simplified description. On this basis, we investigate via computer simulations how epidemiological models are affected by the presence of non-reciprocal interactions. This is done in a numerical study of a zombie outbreak., Comment: 15 pages, 2 figures

Recently, there has been much progress in the formulation and implementation of methods for generic many-particle simulations. These models, however, typically either do not utilize shared memory hardware or do not guarantee data-race freedom for arbitrary particle dynamics. Here, we present both a abstract formal model of particle dynamics and a corresponding domain-specific programming language that can guarantee data-race freedom. The design of both the model and the language are heavily inspired by the Rust programming language that enables data-race-free general-purpose parallel computation. We also present a method of preventing deadlocks within our model by a suitable graph representation of a particle simulation. Finally, we demonstrate the practicability of our model on a number of common numerical primitives from molecular dynamics., Comment: 21 pages, 2 figures

A gas in a box is perhaps the most important model system studied in thermodynamics and statistical mechanics. Usually, studies focus on the gas, whereas the box merely serves as an idealized confinement. The present article focuses on the box as the central object and develops a thermodynamic theory by treating the geometric degrees of freedom of the box as the degrees of freedom of a thermodynamic system. Applying standard mathematical methods to the thermodynamics of an empty box allows equations with the same structure as those of cosmology and classical and quantum mechanics to be derived. The simple model system of an empty box is shown to have interesting connections to classical mechanics, special relativity, and quantum field theory.

The study of active soft matter has developed into one of the most rapidly growing areas of physics. Field theories, which can be developed either via phenomenological considerations or by coarse-graining of a microscopic model, are a very useful tool for understanding active systems. Here, we provide a detailed review of a particular coarse-graining procedure, the interaction-expansion method (IEM). The IEM allows for the systematic microscopic derivation of predictive field theories for systems of interacting active particles. We explain in detail how it can be used for a microscopic derivation of active model B+, which is a widely used scalar active matter model. Extensions and possible future applications are also discussed., Comment: 21 pages, 3 figures

Applications of active particles require a method for controlling their dynamics. While this is typically achieved via direct interventions, indirect interventions based, e.g., on an orientation-dependent self-propulsion speed of the particles, become increasingly popular. In this work, we investigate systems of interacting active Brownian spheres in two spatial dimensions with orientation-dependent propulsion using analytical modeling and Brownian dynamics simulations. It is found that the orientation-dependence leads to self-advection, circulating currents, and programmable cluster shapes., Comment: 6 pages, 5 figures

This article investigates how the acoustic propulsion of cone-shaped colloidal particles that are exposed to a traveling ultrasound wave depends on the viscosity of the fluid surrounding the particles. Using acoustofluidic computer simulations, we found that the propulsion of such nano- and microcones decreases strongly and even changes sign for increasing shear viscosity. In contrast, we found only a weak dependence of the propulsion on the bulk viscosity. The obtained results are in line with the findings of previous theoretical and experimental studies., Comment: 15 pages, 7 figures

The propulsion of colloidal particles via planar traveling ultrasound waves has attracted increasing attention in recent years. A frequently studied type of particles is bullet-shaped and cup-shaped nano- and microparticles. Based on acoustofluidic simulations, this article investigates how the propulsion of bullet-shaped particles depends on their length and diameter, where cup-shaped particles are included as limiting cases corresponding to the smallest particle length. The structure of the flow field generated by the particles is discussed and it is shown that the particles' propulsion strength increases with their length and diameter. When varying the diameter, we observed also a sign change of the propulsion. This work complements previous experimental studies that have addressed such particles only for particular aspect ratios, and the provided understanding of how the propulsion of the particles depends on their dimensions will prospectively be helpful for the choice of particle shapes that are most suitable for future experimental studies., Comment: 10 pages, 3 figures

Simulation ensembles are a common tool in physics for understanding how a model outcome depends on input parameters. We analyze an active particle system, where each particle can use energy from its surroundings to propel itself. A multi-dimensional feature vector containing all particles' motion information can describe the whole system at each time step. The system's behavior strongly depends on input parameters like the propulsion mechanism of the particles. To understand how the time-varying behavior depends on the input parameters, it is necessary to introduce new measures to quantify the difference of the dynamics of the ensemble members. We propose a tool that supports the interactive visual analysis of time-varying feature-vector ensembles. A core component of our tool allows for the interactive definition and refinement of new measures that can then be used to understand the system's behavior and compare the ensemble members. Different visualizations support the user in finding a characteristic measure for the system. By visualizing the user-defined measure, the user can then investigate the parameter dependencies and gain insights into the relationship between input parameters and simulation output.

Optical tweezers are tools made of light that enable contactless pushing, trapping, and manipulation of objects ranging from atoms to space light sails. Since the pioneering work by Arthur Ashkin in the 1970s, optical tweezers have evolved into sophisticated instruments and have been employed in a broad range of applications in life sciences, physics, and engineering. These include accurate force and torque measurement at the femtonewton level, microrheology of complex fluids, single micro- and nanoparticle spectroscopy, single-cell analysis, and statistical-physics experiments. This roadmap provides insights into current investigations involving optical forces and optical tweezers from their theoretical foundations to designs and setups. It also offers perspectives for applications to a wide range of research fields, from biophysics to space exploration., Comment: 181 pages, 61 figures

Active Brownian motion commonly assumes spherical overdamped particles. However, self-propelled particles are often neither symmetric nor overdamped yet underlie random fluctuations from their surroundings. Active Brownian motion has already been generalized to include asymmetric particles. Separately, recent findings have shown the importance of inertial effects for particles of macroscopic size or in low-friction environments. We aim to consolidate the previous findings into the general description of a self-propelled asymmetric particle with inertia. We derive the Langevin equation of such a particle as well as the corresponding Fokker-Planck equation. Furthermore, a formula is presented that allows reconstructing the hydrodynamic resistance matrix of the particle by measuring its trajectory. Numerical solutions of the Langevin equation show that, independently of the particle's shape, the noise-free trajectory at zero temperature starts with an inertial transition phase and converges to a circular helix. We discuss this universal convergence with respect to the helical motion that many microorganisms exhibit., Comment: 18 pages, 3 figures

We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment of the relevant orientational degrees of freedom. Of particular interest is the construction of the nonlinear and coupling terms. This allows for interesting insights into the microscopic justification of phenomenological constructions used in PFC models for active particles and mixtures, the approximations required for obtaining them, and possible generalizations. Second, the derived model is investigated using linear stability analysis and nonlinear methods. It is found that the model allows for a rich nonlinear behavior with states ranging from steady periodic and localized states to various time-periodic states. The latter include standing, traveling, and modulated waves corresponding to spatially periodic and localized traveling, wiggling, and alternating peak patterns and their combinations., Comment: 25 pages, 7 figures

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In particular, there has been a remarkable growth in the amount of work related to chemistry. Moreover, DDFT has stimulated research on other theories such as phase field crystal models and power functional theory. In this perspective, we summarize the latest developments in the field of DDFT and discuss a variety of possible directions for future research., Comment: 15 pages, 2 figures

Field theories for the one-body density of an active fluid, such as the paradigmatic active model B+, are simple yet very powerful tools for describing phenomena such as motility-induced phase separation. No comparable theory has been derived yet for the underdamped case. In this work, we introduce active model I+, an extension of active model B+ to particles with inertia. The governing equations of active model I+ are systematically derived from the microscopic Langevin equations. We show that, for underdamped active particles, thermodynamic and mechanical definitions of the velocity field no longer coincide and that the density-dependent swimming speed plays the role of an effective viscosity. Moreover, active model I+ contains the Schr\"odinger equation in Madelung form as a limiting case, allowing to find analoga of the quantum-mechanical tunnel effect and of fuzzy dark matter in the active fluid. We investigate the active tunnel effect analytically and via numerical continuation., Comment: 16 pages, 1 figure

Previous studies on ultrasound-propelled nano- and microparticles have considered only systems where the particle orientation is perpendicular to the direction of propagation of the ultrasound. However, in future applications of these particles, they will typically be able to attain also other orientations. Therefore, using direct acoustofluidic simulations, we here study how the propulsion of cone-shaped nano- and microparticles, which are known to have a particularly efficient acoustic propulsion and are therefore promising candidates for future applications, depends on their orientation relative to the propagation direction of a traveling ultrasound wave. Our results reveal that the propulsion of the particles depends strongly on their orientation relative to the direction of wave propagation and that the particles tend to orient perpendicularly to the wave direction. We also present the orientation-averaged translational and angular velocities of the particles, which correspond to the particles' effective propulsion for an isotropic exposure to ultrasound. Our results allow assessing how free ultrasound-propelled colloidal particles move in three spatial dimensions and thus constitute an important step towards the realization of the envisaged future applications of such particles., Comment: 10 pages, 4 figures

We investigate the influence of external forces on the collective dynamics of interacting active Brownian particles in two as well as three spatial dimensions. Via explicit coarse graining, we derive predictive models that are applicable for space- and time-dependent external force fields. We study these models for the cases of gravity and harmonic traps. In particular, we derive a generalized barometric formula for interacting active Brownian particles under gravity that is valid for low to high concentrations and activities of the particles. Furthermore, we show that one can use an external harmonic trap to induce motility-induced phase separation in systems that, without external fields, remain in a homogeneous state. This finding makes it possible to realize programmable density patterns in systems of active Brownian particles. Our analytic predictions are found to be in very good agreement with Brownian dynamics simulations., Comment: 13 pages, 2 figures

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.

One of the most important potential applications of self-propelled nano- and microdevices is targeted drug delivery. To realize this, biocompatible particles that can be guided collectively towards a target inside a patient's body are required. Acoustically propelled nano- and microparticles constitute a promising candidate for such biocompatible, artificial motile particles. The main remaining obstacle to targeted drug delivery by self-propelled nano- and microdevices is to also achieve a reliable and biocompatible method for guiding them collectively to their target. Here, we propose such a method. As we confirm by computer simulations, it allows for the remote guiding of large numbers of acoustically propelled particles to a prescribed target by combining a space- and time-dependent acoustic field and a time-dependent magnetic field. The method works without detailed knowledge about the particle positions and for arbitrary initial particle distributions. With these features, it paves the way for the future application of self-propelled particles as vehicles for targeted drug delivery in nanomedicine., Comment: 16 pages, 3 figures

The spontaneous breaking of symmetries is a widespread phenomenon in physics. When time translational symmetry is spontaneously broken, an exotic nonequilibrium state of matter in which the same structures repeat themselves in time can arise. This state, known as "time crystal", attracted a lot of interest recently. Another relatively new research area deals with active matter. Materials consisting of colloidal particles that consume energy from their environment and propel themselves forward can exhibit intriguing properties like superfluidity that were previously known only from quantum-mechanical systems. Here, we bring together these - at first glance completely different - research fields by showing that self-propelled colloidal particles can form classical continuous time crystals. We present a state diagram showing where this new state of matter arises. Furthermore, we investigate its tempomechanical properties and present a temporal stress-strain diagram showing parallels to conventional materials science but also remarkable new properties that do not have a counterpart in common materials., Comment: 16 pages, 12 figures, 2 tables

Cosmology relies on a coarse-grained description of the universe, assumed to be valid on large length scales. However, the nonlinearity of general relativity makes coarse-graining extremely difficult. We here address this problem by extending the Mori-Zwanzig projection operator formalism, a highly successful coarse-graining method from statistical mechanics, towards general relativity. Using the Buchert equations, we derive a new dynamic equation for the Hubble parameter which captures the effects of averaging through a memory function. This gives an empirical prediction for the cosmic jerk., Comment: 7 pages, 1 figure

Wigner functions, allowing for a reformulation of quantum mechanics in phase space, are of central importance for the study of the quantum-classical transition. A full understanding of the quantum-classical transition, however, also requires an explanation for the absence of macroscopic superpositions to solve the quantum measurement problem. Stochastic reformulations of quantum mechanics based on spontaneous collapses of the wavefunction are a popular approach to this issue. In this article, we derive the dynamic equations for the four most important spontaneous collapse models - Ghirardi-Rimini-Weber (GRW) theory, continuous spontaneous localization (CSL) model, Di\'osi-Penrose model, and dissipative GRW model - in the Wigner framework. The resulting master equations are approximated by Fokker-Planck equations. Moreover, we use the phase-space form of GRW theory to test, via molecular dynamics simulations, David Albert's suggestion that the stochasticity induced by spontaneous collapses is responsible for the emergence of thermodynamic irreversibility. The simulations show that, for initial conditions leading to anti-thermodynamic behavior in the classical case, GRW-type perturbations do not lead to thermodynamic behavior. Consequently, the GRW-based equilibration mechanism proposed by Albert is not observed., Comment: 22 pages, 2 figures

We focus on cone-shaped nano- and microparticles, which have recently been found to show particularly strong propulsion when they are exposed to a traveling ultrasound wave, and study based on direct acoustofluidic computer simulations how their propulsion depends on the cones' aspect ratio. The simulations reveal that the propulsion velocity and even its sign are very sensitive to the aspect ratio, where short particles move forward whereas elongated particles move backward. Furthermore, we identify a cone shape that allows for a particularly large propulsion speed. Our results contribute to the understanding of the propulsion of ultrasound-propelled colloidal particles, suggest a method for separation and sorting of nano- and microcones concerning their aspect ratio, and provide useful guidance for future experiments and applications., Comment: 10 pages, 3 figures

Most field theories for active matter neglect effects of memory and inertia. However, recent experiments have found inertial delay to be important for the motion of self-propelled particles. A major challenge in the theoretical description of these effects, which makes the application of standard methods very difficult, is the fact that orientable particles have both translational and orientational degrees of freedom which do not necessarily relax on the same time scale. In this work, we derive the general mathematical form of a field theory for soft matter systems with two different time scales. This allows to obtain a phase field crystal model for polar (i.e., nonspherical or active) particles with translational and orientational memory. Notably, this theory is of third order in temporal derivatives and can thus be seen as a spatiotemporal jerky dynamics. We obtain the phase diagram of this model, which shows that, unlike in the passive case, the linear stability of the liquid state depends on the damping coefficients. Moreover, we investigate sound waves in active matter. It is found that, in active fluids, there are two different mechanisms for sound propagation. For certain parameter values and sufficiently high frequencies, sound mediated by polarization waves experiences less damping than usual passive sound mediated by pressure waves of the same frequency. By combining the different modes, acoustic frequency filters based on active fluids could be realized., Comment: 15 pages, 4 figures

We consider chirality in active systems by exemplarily studying the phase behavior of planar systems of interacting Brownian circle swimmers with a spherical shape. Continuing previous work presented in [G.-J. Liao, S. H. L. Klapp, Soft Matter, 2018, 14, 7873-7882], we derive a predictive field theory that is able to describe the collective dynamics of circle swimmers. The theory yields a mapping between circle swimmers and noncircling active Brownian particles and predicts that the angular propulsion of the particles leads to a suppression of their motility-induced phase separation, being in line with previous simulation results. In addition, the theory provides analytical expressions for the spinodal corresponding to the onset of motility-induced phase separation and the associated critical point as well as for their dependence on the angular propulsion of the circle swimmers. We confirm our findings by Brownian dynamics simulations and an analysis of the collective dynamics using a weighted graph-theoretical network. The agreement between results from theory and simulation is found to be good., Comment: 10 pages, 3 figures

In response to the worldwide outbreak of the coronavirus disease COVID-19, a variety of nonpharmaceutical interventions such as face masks and social distancing have been implemented. A careful assessment of the effects of such containment strategies is required to avoid exceeding social and economical costs as well as a dangerous "second wave" of the pandemic. In this work, we combine a recently developed dynamical density functional theory model and an extended SIRD model with hysteresis to study effects of various measures and strategies using realistic parameters. Depending on intervention thresholds, a variety of phases with different numbers of shutdowns and deaths are found. Spatiotemporal simulations provide further insights into the dynamics of a second wave. Our results are of crucial importance for public health policy., Comment: 20 pages, 4 figures

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems. Originally developed for the treatment of simple and complex fluids, DDFT is now applied in fields as diverse as hydrodynamics, materials science, chemistry, biology, and plasma physics. In this review, we give a broad overview over classical DDFT. We explain its theoretical foundations and the ways in which it can be derived. The relations between the different forms of deterministic and stochastic DDFT as well as between DDFT and related theories, such as quantum-mechanical time-dependent DFT, mode coupling theory, and phase field crystal models, are clarified. Moreover, we discuss the wide spectrum of extensions of DDFT, which covers methods with additional order parameters (like extended DDFT), exact approaches (like power functional theory), and systems with more complex dynamics (like active matter). Finally, the large variety of applications, ranging from fluid mechanics and polymer physics to solidification, pattern formation, biophysics, and electrochemistry, is presented., Comment: 165 pages, 8 figures, 2 tables

We investigate the nonequilibrium dynamics of spherical active Brownian particles in three spatial dimensions that interact via a pair potential. The investigation is based on a predictive local field theory that is derived by a rigorous coarse-graining starting from the overdamped Langevin dynamics of the particles. This field theory is highly accurate and applicable even for the highest activities. It includes configurational order parameters and derivatives up to infinite orders. We present also three finite reduced models that result from the general field theory by suitable approximations and are easier to apply. Furthermore, we use the general field theory and the simplest one of the reduced models to derive analytic expressions for the density-dependent mean swimming speed and the spinodal corresponding to the onset of motility-induced phase separation of the particles, respectively. Both of these results show a good agreement with recent findings described in the literature. The analytic result for the spinodal yields also a prediction for the associated critical point whose position has not been determined before., Comment: 16 pages, 3 figures, 3 tables

For preventing the spread of epidemics such as the coronavirus disease COVID-19, social distancing and the isolation of infected persons are crucial. However, existing reaction-diffusion equations for epidemic spreading are incapable of describing these effects. We present an extended model for disease spread based on combining an SIR model with a dynamical density functional theory where social distancing and isolation of infected persons are explicitly taken into account. The model shows interesting nonequilibrium phase separation associated with a reduction of the number of infections, and allows for new insights into the control of pandemics., Comment: 9 pages, 3 figures

Among the many types of artificial motile nano- and microparticles that have been developed in the past, colloidal particles that exhibit propulsion when they are exposed to ultrasound are particularly advantageous. Their properties, however, are still largely unexplored. For example, the dependence of the propulsion on the particle shape and the structure of the flow field generated around the particles are still unknown. In this article, we address the propulsion mechanism of ultrasound-propelled nano- and microparticles in more detail. Based on direct computational fluid dynamics simulations and focusing on traveling ultrasound waves, we study the effect of two important aspects of the particle shape on the propulsion: rounded vs. pointed and filled vs. hollow shapes. We also address the flow field generated around such particles. Our results reveal that pointedness leads to an increase of the propulsion speed, whereas it is not significantly affected by hollowness. Furthermore, we find that the flow field of ultrasound-propelled particles allows to classify them as pusher squirmers, which has far-reaching consequences for the understanding of these particles and allows us to predict that they can be used to realize active materials with a tunable viscosity that can exhibit suprafluidity and even negative viscosities. The obtained results are helpful, e.g., for future experimental work further investigating or applying ultrasound-propelled colloidal particles as well as for theoretical approaches that aim at modeling their dynamics on mesoscopic scales., Comment: 9 pages, 4 figures, 2 tables

The Mori-Zwanzig projection operator formalism is one of the central tools of nonequilibrium statistical mechanics, allowing to derive macroscopic equations of motion from the microscopic dynamics through a systematic coarse-graining procedure. It is important as a method in physical research and gives many insights into the general structure of nonequilibrium transport equations and the general procedure of microscopic derivations. Therefore, it is a valuable ingredient of basic and advanced courses in statistical mechanics. However, accessible introductions to this method - in particular in its more advanced forms - are extremely rare. In this article, we give a simple and systematic introduction to the Mori-Zwanzig formalism, which allows students to understand the methodology in the form it is used in current research. This includes both basic and modern versions of the theory. Moreover, we relate the formalism to more general aspects of statistical mechanics and quantum mechanics. Thereby, we explain how this method can be incorporated into a lecture course on statistical mechanics as a way to give a general introduction to the study of nonequilibrium systems. Applications, in particular to spin relaxation and dynamical density functional theory, are also discussed., Comment: 14 pages

We investigate the full pair-distribution function of a homogeneous suspension of spherical active Brownian particles interacting by a Weeks-Chandler-Andersen potential in two spatial dimensions. The full pair-distribution function depends on three coordinates describing the relative positions and orientations of two particles, the P\'eclet number specifying the activity of the particles, and their mean packing density. This five-dimensional function is obtained from Brownian dynamics simulations. We discuss its structure taking into account all of its degrees of freedom. In addition, we present an approximate analytic expression for the product of the full pair-distribution function and the interparticle force. We find that the analytic expression, which is typically needed when deriving analytic models for the collective dynamics of active Brownian particles, is in good agreement with the simulation results. The results of this work can thus be expected to be helpful for the further theoretical investigation of active Brownian particles as well as nonequilibrium statistical physics in general., Comment: 15 pages, 5 figures, 5 tables

Combining experiments on active colloids, whose propulsion velocity can be controlled via a feedback loop, and theory of active Brownian motion, we explore the dynamics of an overdamped active particle with a motility that depends explicitly on the particle orientation. In this case, the active particle moves faster when oriented along one direction and slower when oriented along another, leading to an anisotropic translational dynamics which is coupled to the particle's rotational diffusion. We propose a basic model of active Brownian motion for orientation-dependent motility. Based on this model, we obtain analytic results for the mean trajectories, averaged over the Brownian noise for various initial configurations, and for the mean-square displacements including their anisotropic non-Gaussian behavior. The theoretical results are found to be in good agreement with the experimental data. Our findings establish a methodology to engineer complex anisotropic motilities of active Brownian particles, with potential impact in the study of the swimming behavior of microorganisms subjected to anisotropic driving fields., Comment: 34 pages, 6 figures, 2 movies

The concept of quantum-mechanical nematic order, which is important in systems such as superconductors, is based on an analogy to classical liquid crystals, where order parameters are obtained through orientational expansions. We generalize this method to quantum mechanics based on an expansion of Wigner functions. This provides a unified framework applicable to arbitrary quantum systems. The formalism is demonstrated for the cases of Fermi liquids and spin systems. Moreover, we derive new order parameters for molecular systems, which cannot be properly described with the usual nematic tensors., Comment: 8 pages

Orientational expansions, which are widely used in the natural sciences, exist in angular and Cartesian form. Although these expansions are orderwise equivalent, it is difficult to relate them in practice. In this article, both types of expansions and their relations are explained in detail. We give explicit formulas for the conversion between angular and Cartesian expansion coefficients for functions depending on one, two, and three angles in two and three spatial dimensions. These formulas are useful, e.g., for comparing theoretical and experimental results in liquid crystal physics. The application of the expansions in the definition of orientational order parameters is also discussed., Comment: 19 pages, 3 tables

We present a predictive local field theory for the nonequilibrium dynamics of interacting active Brownian particles with a spherical shape in two spatial dimensions. The theory is derived by a rigorous coarse-graining starting from the Langevin equations that describe the trajectories of the individual particles. For maximal accuracy and generality of the theory, it includes configurational order parameters and derivatives up to infinite order. In addition, we discuss possible approximations of the theory and present reduced models that are easier to apply. We show that our theory contains popular models such as Active Model B + as special cases and that it provides explicit expressions for the coefficients occurring in these and other, often phenomenological, models. As a further outcome, the theory yields an analytical expression for the density-dependent mean swimming speed of the particles. To demonstrate an application of the new theory, we analyze a simple reduced model of the lowest nontrivial order in derivatives, which is able to predict the onset of motility-induced phase separation of the particles. By a linear stability analysis, an analytical expression for the spinodal corresponding to motility-induced phase separation is obtained. This expression is evaluated for the case of particles interacting repulsively by a Weeks-Chandler-Anderson potential. The analytical predictions for the spinodal associated with these particles are found to be in very good agreement with the results of Brownian dynamics simulations that are based on the same Langevin equations as our theory. Furthermore, the critical point predicted by our analytical results agrees excellently with recent computational results from the literature., Comment: 15 pages, 2 figures, 2 tables

The Mori-Zwanzig projection operator formalism is a powerful method for the derivation of mesoscopic and macroscopic theories based on known microscopic equations of motion. It has applications in a large number of areas including fluid mechanics, solid-state theory, spin relaxation theory, and particle physics. In its present form, however, the formalism cannot be directly applied to systems with time-dependent Hamiltonians. Such systems are relevant in a lot of scenarios like, for example, driven soft matter or nuclear magnetic resonance. In this article, we derive a generalization of the present Mori-Zwanzig formalism that is able to treat also time-dependent Hamiltonians. The extended formalism can be applied to classical and quantum systems, close to and far from thermodynamic equilibrium, and even in the case of explicitly time-dependent observables. Moreover, we develop a variety of approximation techniques that enhance the practical applicability of our formalism. Generalizations and approximations are developed for both equations of motion and correlation functions. Our formalism is demonstrated for the important case of spin relaxation in a time-dependent external magnetic field. The Bloch equations are derived together with microscopic expressions for the relaxation times., Comment: 26 pages

The hydrodynamic resistance matrix is an important quantity for describing the dynamics of colloidal particles. This matrix encodes the shape- and size-dependent hydrodynamic properties of a particle suspended in a simple liquid at low Reynolds number and determines the particle's diffusion tensor. For this reason, the hydrodynamic resistance matrix is typically needed when modeling the motion of free purely Brownian, externally driven, or self-propelled colloidal particles or the behavior of dilute suspensions of such particles on the basis of Langevin equations, Smoluchowski equations, classical dynamical density functional theory, or other appropriate methods. So far, however, the hydrodynamic resistance matrix was available only for a few particle shapes. In this article, we therefore present the hydrodynamic resistance matrices for various particle shapes that are relevant for current research, including apolar and polar as well as convex and partially concave shapes. The elements of the hydrodynamic resistance matrices are given as functions of shape parameters like the aspect ratio of the corresponding particle so that the results apply not only to discrete but instead to continuous sets of particle shapes. This work shall stimulate and support future studies on colloidal particles with anisometric shapes., Comment: 12 pages, 4 figures, 10 tables