arXiv subjects

Roland G. Winkler

Publications and source records attributed to Roland G. Winkler.

51 records · Page 3Linked to original sources

arXiv2016

Modeling a spheroidal microswimmer and cooperative swimming in thin films

We propose a hydrodynamic model for a spheroidal microswimmer with two tangential surface velocity modes. This model is analytically solvable and reduces to Lighthill's and Blake's spherical squirmer model in the limit of equal major and minor semi-axes. Furthermore, we present an implementation of such a spheroidal squirmer by means of multiparticle collision dynamics simulations. We investigate its properties as well as the scattering of two spheroidal squirmers in a slit geometry. Thereby we find a stable fixed point, where two pullers swim cooperatively forming a wedge-like conformation with a small constant angle.

physics.bio-ph↗

arXiv2016

From local to hydrodynamic friction in Brownian motion: A multiparticle collision dynamics simulation study

The friction and diffusion coefficients of rigid spherical colloidal particles dissolved in a fluid are determined from velocity and force autocorrelation functions by mesoscale hydrodynamic simulations. Colloids with both slip and no-slip boundary conditions are considered, which are embedded in fluids modelled by multiparticle collision dynamics (MPC) with and without angular momentum conservation. For no-slip boundary conditions, hydrodynamics yields the well-known Stokes law, while for slip boundary conditions the lack of angular momentum conservation leads to a reduction of the hydrodynamic friction coefficient compared to the classical result. The colloid diffusion coefficient is determined by integration of the velocity autocorrelation function, where the numerical result at shorter times is combined with the theoretical hydrodynamic expression for longer times. The suitability of this approach is confirmed by simulations of sedimenting colloids. In general, we find only minor deviations from the Stokes-Einstein relation, which even disappear for larger colloids. Importantly, for colloids with slip boundary conditions, our simulation results contradict the frequently assumed additivity of local and hydrodynamic diffusion coefficients.

cond-mat.soft↗

arXiv2016

Traveling fronts in active-passive particle mixtures

The emergent dynamics in phase-separated mixtures of isometric active and passive Brownian particles is studied numerically in two dimensions. A novel steady-state of well-defined traveling fronts is observed, where the interface between the dense and the dilute phase propagates and the bulk of both phases is (nearly) at rest. Two kind of interfaces, advancing and receding, are formed by spontaneous symmetry breaking, induced by an instability of a planar interface due to the formation of localized vortices. The propagation arises due to flux imbalance at the interface, strongly resembling traveling fronts in reaction-diffusion systems. Above a threshold, the interface velocity decreases linearly with increasing fraction of active particles.

cond-mat.soft↗

arXiv2015

Self-organization in suspensions of end-functionalized semiflexible polymers under shear flow

The nonequilibrium dynamical behavior and structure formation of end-functionalized semiflexible polymer suspensions under flow are investigated by mesoscale hydrodynamic simulations. The hybrid simulation approach combines the multiparticle collision dynamics method for the fluid, which accounts for hydrodynamic interactions, with molecular dynamics simulations for the semiflexible polymers. In equilibrium, various kinds of scaffold-like network structures are observed, depending on polymer flexibility and end-attraction strength. We investigate the flow behavior of the polymer networks under shear and analyze their nonequilibrium structural and rheological properties. The scaffold structure breaks up and densified aggregates are formed at low shear rates, while the structural integrity is completely lost at high shear rates. We provide a detailed analysis of the shear-rate-dependent flow-induced structures. The studies provide a deeper understanding of the formation and deformation of network structures in complex materials.

cond-mat.soft↗

arXiv2015

Hydrodynamic correlations in shear flow: A Multiparticle--Collision--Dynamics simulation study

The nonequilibrium hydrodynamic correlations of a Multiparticle-Collision-Dynamics (MPC) fluid in shear flow are studied by analytical calculations and simulations. The Navier-Stokes equations for a MPC fluid are linearized about the shear flow and the hydrodynamic modes are evaluated as an expansion in the momentum vector. The shear-rate dependence and anisotropy of the transverse and longitudinal velocity correlations are analyzed. We demonstrate that hydrodynamic correlations in shear flow are anisotropic, specifically, the two transverse modes are no longer identical. In addition, our simulations reveal the directional dependence of the frequency and attenuation of the longitudinal velocity correlation function. Furthermore, the velocity autocorrelation functions of a tagged fluid particle in shear flow are determined. The simulations results for various hydrodynamic correlations agree very well with the theoretical predictions.

cond-mat.stat-mech↗

arXiv2015

Modelling the Mechanics and Hydrodynamics of Swimming E. coli

The swimming properties of an E. coli-type model bacterium are investigated by mesoscale hy- drodynamic simulations, combining molecular dynamics simulations of the bacterium with the multiparticle particle collision dynamics method for the embedding fluid. The bacterium is com- posed of a spherocylindrical body with attached helical flagella, built up from discrete particles for an efficient coupling with the fluid. We measure the hydrodynamic friction coefficients of the bacterium and find quantitative agreement with experimental results of swimming E. coli. The flow field of the bacterium shows a force-dipole-like pattern in the swimming plane and two vor- tices perpendicular to its swimming direction arising from counterrotation of the cell body and the flagella. By comparison with the flow field of a force dipole and rotlet dipole, we extract the force- dipole and rotlet-dipole strengths for the bacterium and find that counterrotation of the cell body and the flagella is essential for describing the near-field hydrodynamics of the bacterium.

cond-mat.soft↗

arXiv2015

Virial pressure in systems of active Brownian particles

The pressure of suspensions of self-propelled objects is studied theoretically and by simulation of spherical active Brownian particles (ABP). We show that for certain geometries, the mechanical pressure as force/area of a confined systems can equally be expressed by bulk properties, which implies the existence of an nonequilibrium equation of state. Exploiting the virial theorem, we derive expressions for the pressure of ABPs confined by solid walls or exposed to periodic boundary conditions. In both cases, the pressure comprises three contributions: the ideal-gas pressure due to white-noise random forces, an activity-induce pressure (swim pressure), which can be expressed in terms of a product of the bare and a mean effective propulsion velocity, and the contribution by interparticle forces. We find that the pressure of spherical ABPs in confined systems explicitly depends on the presence of the confining walls and the particle-wall interactions, which has no correspondence in systems with periodic boundary conditions. Our simulations of three-dimensional APBs in systems with periodic boundary conditions reveal a pressure-concentration dependence that becomes increasingly nonmonotonic with increasing activity. Above a critical activity and ABP concentration, a phase transition occurs, which is reflected in a rapid and steep change of the pressure. We present and discuss the pressure for various activities and analyse the contributions of the individual pressure components.

cond-mat.stat-mech↗

arXiv2015

Cooperative Motion of Active Brownian Spheres in Three-Dimensional Dense Suspensions

The structural and dynamical properties of suspensions of self-propelled Brownian particles of spherical shape are investigated in three spatial dimensions. Our simulations reveal a phase separation into a dilute and a dense phase, above a certain density and strength of self-propulsion. The packing fraction of the dense phase approaches random close packing at high activity, yet the system remains fluid. Although no alignment mechanism exists in this model, we find long-lived cooperative motion of the particles in the dense regime. This behavior is probably due to an interface-induced sorting process. Spatial displacement correlation functions are nearly scale-free for systems with densities close to or above the glass transition density of passive systems.

cond-mat.soft↗

arXiv2015

Thermostat for non-equilibrium multiparticle collision dynamics simulations

Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization of the fluid is often required for certain MPC variants. We investigate the influence of three thermostats on the non-equilibrium properties of a MPC fluid under shear or in Poiseuille flow. In all cases, the local velocities are scaled by a factor, which is either determined via a local simple scaling approach (LSS), a Monte Carlo-like procedure (MCS), or by the Maxwell-Boltzmann distribution of kinetic energy (MBS). We find that the various scal- ing schemes leave the flow profile unchanged and maintain the local temperature well. The fluid viscosities extracted from the various simulations are in close agreement. Moreover, the numerically determined viscosities are in remarkably good agreement with the respective theoretically predicted values. At equilibrium, the calculation of the dynamic structure factor reveals that the MBS method closely resembles an isothermal ensemble, whereas the MCS procedure exhibits signatures of an adi- abatic system at larger collision-time steps. Since the velocity distribution of the LSS approach is non-Gaussian, we recommend to apply the MBS thermostat, which has been shown to produce the correct velocity distribution even under non-equilibrium conditions.

cond-mat.soft↗

arXiv2014

Physics of Microswimmers - Single Particle Motion and Collective Behavior

Locomotion and transport of microorganisms in fluids is an essential aspect of life. Search for food, orientation toward light, spreading of off-spring, and the formation of colonies are only possible due to locomotion. Swimming at the microscale occurs at low Reynolds numbers, where fluid friction and viscosity dominates over inertia. Here, evolution achieved propulsion mechanisms, which overcome and even exploit drag. Prominent propulsion mechanisms are rotating helical flagella, exploited by many bacteria, and snake-like or whip-like motion of eukaryotic flagella, utilized by sperm and algae. For artificial microswimmers, alternative concepts to convert chemical energy or heat into directed motion can be employed, which are potentially more efficient. The dynamics of microswimmers comprises many facets, which are all required to achieve locomotion. In this article, we review the physics of locomotion of biological and synthetic microswimmers, and the collective behavior of their assemblies. Starting from individual microswimmers, we describe the various propulsion mechanism of biological and synthetic systems and address the hydrodynamic aspects of swimming. This comprises synchronization and the concerted beating of flagella and cilia. In addition, the swimming behavior next to surfaces is examined. Finally, collective and cooperate phenomena of various types of isotropic and anisotropic swimmers with and without hydrodynamic interactions are discussed.

physics.bio-ph↗

arXiv2012

Flow-Induced Helical Coiling of Semiflexible Polymers in Structured Microchannels

The conformations of semiflexible (bio)polymers are studied in flow through geometrically structured microchannels. Using mesoscale hydrodynamics simulations, we show that the polymer undergoes a rod-to-helix transition as it moves from the narrow high-velocity region into the wide low-velocity region of the channel. The transient helix formation is the result of a non-equilibrium and non-stationary buckling transition of the semiflexible polymer, which is subjected to a compressive force originating from the fluid-velocity variation in the channel. The helix properties depend on the diameter ratio of the channel, the polymer bending rigidity, and the flow strength.

cond-mat.soft↗

arXiv2011

Semidilute Polymer Solutions at Equilibrium and under Shear Flow

The properties of semidilute polymer solutions are investigated at equilibrium and under shear flow by mesoscale simulations, which combine molecular dynamics simulations and the multiparticle collision dynamics approach. In semidilute solution, intermolecular hydrodynamic and excluded volume interactions become increasingly important due to the presence of polymer overlap. At equilibrium, the dependence of the radius of gyration, the structure factor, and the zero-shear viscosity on the polymer concentration is determined and found to be in good agreement with scaling predictions. In shear flow, the polymer alignment and deformation are calculated as a function of concentration. Shear thinning, which is related to flow alignment and finite polymer extensibility, is characterized by the shear viscosity and the normal stress coefficients.

cond-mat.soft↗

arXiv2010

Semiflexible polymer conformation, distribution and migration in microcapillary flows

The flow behavior of a semiflexible polymer in microchannels is studied using Multiparticle Collision Dynamics (MPC), a particle-based hydrodynamic simulation technique. Conformations, distributions, and radial cross-streamline migration are investigated for various bending rigidities, with persistence lengths Lp in the range 0.5 < Lp/Lr < 30. The flow behavior is governed by the competition between a hydrodynamic lift force and steric wall-repulsion, which lead to migration away from the wall, and a locally varying flow-induced orientation, which drives polymer away from the channel center and towards the wall. The different dependencies of these effects on the polymer bending rigidity and the flow velocity results in a complex dynamical behavior. However, a generic effect is the appearance of a maximum in the monomer and the center-of-mass distributions, which occurs in the channel center for small flow velocities, but moves off-center at higher velocities.

cond-mat.soft↗

arXiv2008

Stress Tensors of Multiparticle Collision Dynamics Fluids

Stress tensors are derived for the multiparticle collision dynamics algorithm, a particle-based mesoscale simulation method for fluctuating fluids, resembling those of atomistic or molecular systems. Systems with periodic boundary conditions as well as fluids confined in a slit are considered. For every case, two equivalent expressions for the tensor are provided, the internal stress tensor, which involves all degrees of freedom of a system, and the external stress, which only includes the interactions with the confining surfaces. In addition, stress tensors for a system with embedded particles are determined. Based on the derived stress tensors, analytical expressions are calculated for the shear viscosity. Simulations illustrate the difference in fluctuations between the various derived expressions and yield very good agreement between the numerical results and the analytically derived expression for the viscosity.

cond-mat.soft↗

arXiv2008

Direct observation of hydrodynamic instabilities in driven non-uniform colloidal dispersions

A Rayleigh-Taylor-like instability of a dense colloidal layer under gravity in a capillary of microfluidic dimensions is considered. We access all relevant lengthscales with particle-level microscopy and computer simulations which incorporate long-range hydrodynamic interactions between the particles. By tuning the gravitational driving force, we reveal a mechanism whose growth is connected to the fluctuations of specific wavelengths, non-linear pattern formation and subsequent diffusion-dominated relaxation. Our linear stability theory captures the initial regime and thus predicts mixing conditions, with important implications for fields ranging from biology to nanotechnology.

cond-mat.soft↗