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Roland G. Winkler

Publications and source records attributed to Roland G. Winkler.

At least 19 recordsLinked to original sources

Self-Avoidance Governs Re-entrant Coil-Globule Transition of Inertial Active Brownian Ring Polymers

Active matter systems composed of self-propelled entities exhibit a wide range of out-of-equilibrium phase behaviors and collective dynamics. Assemblies of active particles, e.g., in a linear structure, are particularly interesting, as they exhibit an intriguing interplay between activity and geometrical restrictions due to self-avoidance and entanglements. Using Langevin dynamics simulations of an active Brownian ring polymer with translational and rotational inertia, we uncover an inertia-driven re-entrant coil-globule transition in the absence of any attractive interactions. We show that rotational inertia plays a paramount role, leading, in the globular state, to spontaneous, nonzero, radially outward polarization of the active forces. Self-avoidance and entanglements break the rotational symmetry of active beads and effectively stabilize the globular states. The transition becomes increasingly sharp with increasing rotational inertia, yielding highly compact globular conformations at intermediate activities, whereas at high activity the polymer re-expands into a coil state. Scaling of the radius of gyration reveals crossovers from self-avoiding, phantom-like to compact-globular structures. Further, rotational inertia enhances transport properties, with an intermediate activity-induced Rouse-type bead diffusion and a long-time diffusion coefficient displaying a power-law dependence on the moment of inertia. Our study establishes a purely inertia-induced mechanism for controlling the collapse of active polymers, arising from spontaneous active-force polarization and self-avoidance.

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Virial stress in systems of active Brownian particles in the presence of translational and rotational inertia

We elucidate the stress in a system of active Brownian particles augmented with translational and rotational inertia (ABP+TRI). Stress tensors are derived for periodic systems as well as systems confined between walls by employing Lagrange's equations of motion of the first kind for the rotational motion. Using Langevin simulations of an ideal active gas in two dimensions, we confirm the existence of an equation of state for periodic systems that depends on translational and rotational inertia in general. Confinement implies a strong polarization of the propulsion direction near a wall and an enhanced density, both of which increase with increasing rotational inertia. This affects the local stress tensor normal to the confining walls, leading to a breakdown of the equation of state. Yet the local stress in the bulk part of the confined systems is identical with that of the periodic system. Importantly, for both kinds of boundary conditions, the so-called swim stress is not included in the local stress tensor; thus, in general, the swim stress is not representative of the stress in systems of ABP+TRIs.

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Analytical Analysis of the Conformational and Rheological Properties of Flexible Active Polar Linear Polymers under Shear Flow

The conformational and rheological properties of active polar linear polymers (APLPs) under linear shear flow are studied analytically. We describe a discrete APLP as an inextensible flexible Gaussian bead-spring chain supplemented by active forces along the bonds. The linear, non-Hermitian equations of motion are solved by an eigenfunction expansion in terms of a biorthogonal basis set. The model reveals an intimate coupling between activity and shear flow, which implies activity-enhanced polymer conformational and rheological properties. Compared to a passive polymer, we find a significantly enhanced shrinkage transverse to the flow direction with increasing shear rate, with a power-law exponent $-4/3$, compared to the passive values of $-2/3$. This conformational change is tightly linked with a strongly amplified shear-thinning behavior, where the shear viscosity exhibits the same power law. The characteristic shear rate for the onset of these effects is determined by the activity. In the asymptotic limit of large activities, the shear-induced features become independent of activity and equal to those of passive polymers.

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Binary Mixtures of Intelligent Active Brownian Particles with Visual Perception

The collective properties of a binary mixture of A- and B-type self-steering particles endowed with visual perception are studied by computer simulations. Active Brownian particles are employed with an additional steering mechanism, which enables them to adjust their propulsion direction relative to the instantaneous positions of neighboring particles, depending on the species, either steering toward or away from them. Steering can be nonreciprocal between the A- and B-type particles. The underlying dynamical and structural properties of the system are governed by the strength and polarity of the maneuverabilities associated with the vision-induced steering. The model predicts the emergence of a large variety of nonequilibrium behaviors, which we systematically characterize for all nine principal sign combinations of AA, BB, AB and BA maneuverabilites. In particular, we observe the formation of multimers, encapsulated aggregates, honeycomb lattices, and predator-prey pursuit. Notably, for a predator-prey system, the maneuverability and vision angle employed by a predator significantly impacts the spatial distribution of the surrounding prey particles. For systems with electric-charge-like interactions and non-stochiometric composition, we obtain at intermediate activity levels an enhanced diffusion compared to non-steering active Brownian particles.

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Activity-enhanced shear thinning of flexible linear polar polymers

The rheological properties of tangentially propelled flexible polymers under linear shear flow are studied by computer simulations and are compared with analytical calculations. We find a significant impact of the coupled nonequilibrium active and shear forces on the polymer characteristics. The polar activity enhances shear-induced stretching along the flow direction, shrinkage in the transverse direction, and implies a strongly amplified shear-thinning behavior. The characteristic shear rate for the onset of these effects is determined by the activity. In the asymptotic limit of large activities, the shear-induced features become independent of activity, and for asymptotically large shear rates, shear dominates over activity with passive polymer behavior.

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Active Polar Ring Polymer in Shear Flow -- An Analytical Study

We theoretically study the conformational and dynamical properties of semiflexible active polar ring polymers under linear shear flow. A ring is described as a continuous Gaussian polymer with a tangential active force of a constant density along its contour. The linear but non-Hermitian equation of motion is solved using an eigenfunction expansion, which yields activity-independent, but shear-rate-dependent, relaxation times and activity-dependent frequencies. As a consequence, the ring's stationary-state properties are independent of activity, and its conformations as well as rheological properties are equal to those of a passive ring under shear. The presence of characteristic time scales by the relaxation and the frequency gives rise to a particular dynamical behavior. A tank-treading-like motion emerges for large relaxation times and high frequencies, specifically for stiffer rings, governed by the activity-dependent frequencies. In the case of very flexible polymers, the relaxation behavior dominates over tank-treading. Shear strongly affects the crossover from a tank-treading to a relaxation-time dominated dynamics and suppresses tank-treading. This is reflected in the tumbling frequency, which exhibits two shear-rate dependent regimes, with an activity-dependent plateau at low shear rates followed by a power-law regime with increasing tumbling frequency for large shear rates.

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Alignment-Induced Self-Organization of Autonomously Steering Microswimmers: Turbulence, Vortices, and Jets

Systems of motile microorganisms exhibit a multitude of collective phenomena, including motility-induced phase separation and turbulence. Sensing of the environment and adaptation of movement plays an essential role in the emergent behavior. We study the collective motion of wet self-steering polar microswimmers, which align their propulsion direction hydrodynamically with that of their neighbors, by mesoscale hydrodynamics simulations. The simulations of the employed squirmer model reveal a distinct dependence on the swimmer flow field, i.e., pullers versus pushers. The collective motion of pushers is characterized by active turbulence, with nearly homogeneous density and a Gaussian velocity distribution. Pullers exhibit a strong tendency for clustering and display velocity and vorticity distributions with fat exponential tails; their dynamics is chaotic, with a temporal appearance of vortex rings and fluid jets. Our results show that the collective behavior of intelligent microswimmers is very diverse and still offers many surprises to be discovered.

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HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics

We present HTMPC, a Heavily Templated C++ library for large-scale simulations implementing multi-particle collision dynamics (MPC), a particle-based mesoscale hydrodynamic simulation method. The implementation is plugin-based, and designed for distributed computing over an arbitrary number of MPI ranks. By abstracting the hardware-dependent parts of the implementation, we provide an identical application-code base for various architectures, currently supporting CPUs and CUDA-capable GPUs. We have examined the code for a system of more than a trillion MPC particles distributed over a few thousand MPI ranks (GPUs), demonstrating the scalability of the implementation and its applicability to large-scale hydrodynamic simulations. As showcases, we examine passive and active suspension of colloids, which confirms the extensibility and versatility of our plugin-based implementation.

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Characteristic features of self-avoiding active Brownian polymers under linear shear flow

We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical properties, such as the stretching in the flow direction and compression in the gradient direction, shear-induced alignment, and shear viscosity. In the asymptotic limit of large activities and shear rates, the power-law scaling exponents of these quantities differ significantly from those of passive polymers. The chain's shear-induced stretching at a given shear rate is reduced by active noise, and it displays a non-monotonic behavior, where an initial polymer compression is followed by its stretching with increasing active force.

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Collective behavior of self-steering active particles with velocity alignment and visual perception

The formation and dynamics of swarms is wide spread in living systems, from bacterial bio-films to schools of fish and flocks of birds. We study this emergent collective behavior in a model of active Brownian particles with visual-perception-induced steering and alignment interactions through agent-based simulations. The dynamics, shape, and internal structure of the emergent aggregates, clusters, and swarms of these intelligent active Brownian particles (iABPs) is determined by the maneuverabilities $Ω_v$ and $Ω_a$, quantifying the steering based on the visual signal and polar alignment, respectively, the propulsion velocity, characterized by the P{é}clet number $Pe$, the vision angle $θ$, and the orientational noise. Various non-equilibrium dynamical aggregates -- like motile worm-like swarms and millings, and close-packed or dispersed clusters -- are obtained. Small vision angles imply the formation of small clusters, while large vision angles lead to more complex clusters. In particular, a strong polar-alignment maneuverability $Ω_a$ favors elongated worm-like swarms, which display super-diffusive motion over a much longer time range than individual ABPs, whereas a strong vision-based maneuverability $Ω_v$ favors compact, nearly immobile aggregates. Swarm trajectories show long persistent directed motion, interrupted by sharp turns. Milling rings, where a worm-like swarm bites its own tail, emerge for an intermediate regime of $Pe$ and vision angles. Our results offer new insights into the behavior of animal swarms, and provide design criteria for swarming microbots.

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Hydrodynamic pursuit by cognitive self-steering microswimmers

The properties of biological microswimmers are to a large extent determined by fluid-mediated interactions, which govern their propulsion, perception of their surrounding, and the steering of their motion for feeding or in pursuit. Transferring similar functionalities to synthetic microswimmers poses major challenges, and the design of favorable steering and pursuit strategies is fundamental in such an endeavor. Here, we apply a squirmer model to investigate the pursuit of pursuer-target pairs with an implicit sensing mechanism and limited hydrodynamic steering abilities of the pursuer. Two hydrodynamic steering strategies are applied for the pursuer's propulsion direction by adaptation of its surface flow field, (i) reorientation toward the target with limited maneuverability, and (ii) alignment with the target's propulsion direction combined with speed adaptation. Depending on the nature of the microswimmer propulsion (puller, pusher) and the velocity-adaptation scheme, stable cooperatively moving states can be achieved, characterized by specific squirmer arrangements and controllable trajectories. Importantly, pursuer and target mutually affect their motion and trajectories.

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Noisy pursuit by a self-steering active particle in confinement

The properties of a cognitive, self-propelled, and self-steering particle in the presence of a stationary target are analyzed theoretically and by simulations. In particular, the effects of confinement in competition with activity and steering are addressed. The pursuer is described as an intelligent active Ornstein-Uhlenbeck particle (iAOUP), confined in a harmonic potential. For the free pursuer, we find universal scaling regimes for the pursuer-target distance in terms of the Peclet number and maneuverability. Steering results in a novel constant mean-distance regime, which broadens with increasing maneuverability. Confinement strongly affects the propulsion direction and leads to a scaling at large Peclet numbers similar to that in absence of confinement, yet with a pronounced dependence on confinement strength.

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Phase separation of active Brownian particles on curved surfaces

The effect of curvature on an ensemble of repulsive active Brownian particles (ABPs) moving on a spherical surface is studied. Surface curvature strongly affects the dynamics of ABPs, as it introduces a new time scale $τ=R/v_0$, with curvature radius $R$ and propulsion velocity $v_0$, in addition to the rotational diffusion time $τ_r$. This implies that motility-induced phase separation (MIPS) disappears for small $R$. Furthermore, it causes a narrowing of the MIPS regime in the phase diagram of P{é}clet number $\text{Pe}$ and particle area fraction $ϕ$. Also, the phase-separation boundary at low $ϕ$ attains a turning point at small $R$, allowing for the possibility of a reentrant behavior. These results characterize the effect of curvature on ABP dynamics and MIPS, and will help to better understand the preferred occupation of certain niches by bacterial colonies in porous media.

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Tangentially Driven Active Polar Linear Polymers -- An Analytical Study

The conformational and dynamical properties of isolated flexible active polar linear polymers (APLPs) are studied analytically. The APLPs are modeled as Gaussian bead-spring linear chains augmented by tangential active forces, both in a discrete and continuous representations. The polar forces lead to linear non-Hermitian equations of motion, which are solved by an eigenfunction expansion in terms of a biorthogonal basis set. Our calculations show that the polymer conformations are independent of activity. On the contrary, tangential propulsion strongly impacts the polymer dynamics and yields an active ballistic regime as well as activity-enhanced long-time diffusion, regimes which are both absent in passive systems. The polar forces imply a coupling of modes in the eigenfunction representation, in particular with the translational mode, with a respective strong influence on the polymer dynamics. The total polymer mean-square displacement on scales smaller than their radius of gyration is determined by the active internal dynamics rather than the collective center-of-mass motion, in contrast to active Brownian polymers, reflecting the distinct difference in the propulsion mechanism.

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Dynamics of Active Polar Ring Polymers

The conformational and dynamical properties of isolated semiflexible active polar ring polymers are investigated analytically. A ring is modeled as continuous Gaussian polymer exposed to tangential active forces. The analytical solution of the linear non-Hermitian equation of motion in terms of an eigenfunction expansion shows that ring conformations are independent of activity. In contrast, activity strongly affects the internal ring dynamics and yields characteristic time regimes, which are absent in passive rings. On intermediate time scales, flexible rings show an activity-enhanced diffusive regime, while semiflexible rings exhibit ballistic motion. Moreover, a second active time regime emerges on longer time scales, where rings display a snake-like motion, which is reminiscent to a tank-treading rotational dynamics in shear flow, dominated by the mode with the longest relaxation time.

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Emergent collective behavior of active Brownian particles by visual perception

Systems comprised of self-steering active Brownian particles are studied via simulations for a minimal cognitive flocking model. The dynamics of the active Brownian particles is extended by an orientational response with limited maneuverability to an instantaneous visual input of the positions of neighbors within a vision cone and a cut-off radius. The system exhibits large-scale self-organized structures, which depend on selected parameter values, and, in particular, the presence of excluded-volume interactions. The emergent structures in two dimensions, such as worms, worm-aggregate coexistence, and hexagonally close-packed structures, are analysed and phase diagrams are constructed. The analysis of the particle's mean-square displacement shows ABP-like dynamics for dilute systems and the worm phase. In the limit of densely packed structures, the active diffusion coefficient is significantly smaller and depends on the number of particles in the cluster. Our analysis of the cluster-growth dynamics shows distinct differences to processes in systems of short-range attractive colloids in equilibrium. Specifically, the characteristic time for the growth and decay of clusters of a particular size is longer than that of isotropically attractive colloids, which we attribute to the non-reciprocal nature of the directed visual perception. Our simulations reveal a strong interplay between ABP-characteristic interactions, such as volume exclusion and rotational diffusion, and cognitive-based interactions and navigation.

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Noisy Pursuit and Pattern Formation of Self-Steering Active Particles

We consider a moving target and an active pursing agent, modeled as an intelligent active Brownian particle capable of sensing the instantaneous target location and adjust its direction of motion accordingly. An analytical and simulation study in two spatial dimensions reveals that pursuit performance depends on the interplay between self-propulsion, active reorientation, and random noise. Noise is found to have two opposing effects: (i) it is necessary to disturb regular, quasi-elliptical trajectories around the target, and (ii) slows down pursuit by increasing the traveled distance of the pursuer. We also propose a strategy to sort active pursuers according to their motility by circular target trajectories.

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Simulating wet active polymers by multiparticle collision dynamics

The conformational and dynamical properties of active Brownian polymers embedded in a fluid depend on the nature of the driving mechanism, e.g., self-propulsion or external actuation of the monomers. Implementations of self-propelled and actuated active Brownian polymers in a multiparticle collision dynamics (MPC) fluid are presented, which capture the distinct differences between the two driving mechanisms. The active force-free nature of self-propelled monomers requires adaptations of the MPC simulation scheme, with its streaming and collision steps, where the monomer self-propulsion velocity has to be omitted in the collision step. Comparison of MPC simulation results for active polymers in dilute solution with results of Brownian dynamics simulations accounting for hydrodynamics via the Rotne-Prager-Yamakawa tensor confirm the suitability of the implementation. The polymer conformational and dynamical properties are analyzed by the static and dynamic structure factor, and the scaling behavior of the latter with respect to the wave-number and time dependence are discussed. The dynamic structure factor displays various activity-induced temporal regimes, depending on the considered wave number, which reflect the persistent diffusive motion of the whole polymer at small wave numbers, and the activity-enhanced internal dynamics at large wave numbers. The obtained simulation results are compared with theoretical predictions.

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