Jdr Jens Harting

Random-Roughness Hydrodynamic Boundary Conditions

We report results of lattice Boltzmann simulations of a high-speed drainage of liquid films squeezed between a smooth sphere and a randomly rough plane. A significant decrease in the hydrodynamic resistance force as compared with that predicted for two smooth surfaces is observed. However, this force reduction does not represent slippage. The computed force is exactly the same as that between equivalent smooth surfaces obeying no-slip boundary conditions, but located at an intermediate position between peaks and valleys of asperities. The shift in hydrodynamic thickness is shown to depend on the height and density of roughness elements. Our results do not support some previous experimental conclusions on a very large and shear-dependent boundary slip for similar systems.

Lattice Boltzmann simulations in microfluidics: probing the no-slip boundary condition in hydrophobic, rough, and surface nanobubble laden microchannels

In this contribution, we review recent efforts on investigations of the effect of (apparent) boundary slip by utilizing lattice Boltzmann simulations. We demonstrate the applicability of the method to treat fundamental questions in microfluidics by investigating fluid flow in hydrophobic and rough microchannels as well as over surfaces covered by nano- or microscale gas bubbles.

Numerical simulations of complex fluid-fluid interface dynamics

Interfaces between two fluids are ubiquitous and of special importance for industrial applications, e.g., stabilisation of emulsions. The dynamics of fluid-fluid interfaces is difficult to study because these interfaces are usually deformable and their shapes are not known a priori. Since experiments do not provide access to all observables of interest, computer simulations pose attractive alternatives to gain insight into the physics of interfaces. In the present article, we restrict ourselves to systems with dimensions comparable to the lateral interface extensions. We provide a critical discussion of three numerical schemes coupled to the lattice Boltzmann method as a solver for the hydrodynamics of the problem: (a) the immersed boundary method for the simulation of vesicles and capsules, the Shan-Chen pseudopotential approach for multi-component fluids in combination with (b) an additional advection-diffusion component for surfactant modelling and (c) a molecular dynamics algorithm for the simulation of nanoparticles acting as emulsifiers.

Effects of nanoparticles and surfactant on droplets in shear flow

We present three-dimensional numerical simulations, employing the well-established lattice Boltzmann method, and investigate similarities and differences between surfactants and nanoparticles as additives at a fluid–fluid interface. We report on their respective effects on the surface tension of such an interface. Next, we subject a fluid droplet to shear and explore the deformation properties of the droplet, its inclination angle relative to the shear flow, the dynamics of the particles at the interface, and the possibility of breakup. Particles are seen not to affect the surface tension of the interface, although they do change the overall interfacial free energy. The particles do not remain homogeneously distributed over the interface, but form clusters in preferred regions that are stable for as long as the shear is applied. However, although the overall structure remains stable, individual nanoparticles roam the droplet interface, with a frequency of revolution that is highest in the middle of the droplet interface, normal to the shear flow, and increases with capillary number. We recover Taylors law for small deformation of droplets when surfactant or particles are added to the droplet interface. The effect of surfactant is captured in the capillary number, but the inertia of adsorbed massive particles increases deformation at higher capillary number and eventually leads to easier breakup of the droplet.

Simplified particulate model for coarse-grained hemodynamics simulations.

Human blood flow is a multiscale problem: in first approximation, blood is a dense suspension of plasma and deformable red cells. Physiological vessel diameters range from about one to thousands of cell radii. Current computational models either involve a homogeneous fluid and cannot track particulate effects or describe a relatively small number of cells with high resolution but are incapable to reach relevant time and length scales. Our approach is to simplify much further than existing particulate models. We combine well-established methods from other areas of physics in order to find the essential ingredients for a minimalist description that still recovers hemorheology. These ingredients are a lattice Boltzmann method describing rigid particle suspensions to account for hydrodynamic long-range interactions and-in order to describe the more complex short-range behavior of cells-anisotropic model potentials known from molecular-dynamics simulations. Paying detailedness, we achieve an efficient and scalable implementation which is crucial for our ultimate goal: establishing a link between the collective behavior of millions of cells and the macroscopic properties of blood in realistic flow situations. In this paper we present our model and demonstrate its applicability to conditions typical for the microvasculature.

Interplay of inertia and deformability on rheological properties of a suspension of capsules

The interplay of inertia and deformability has a substantial impact on the transport of soft particles suspended in a fluid. However, to date a thorough understanding of these systems is still missing, and only a limited number of experimental and theoretical studies are available. We combine the finite-element, immersed-boundary and lattice-Boltzmann methods to simulate three-dimensional suspensions of soft particles subjected to planar Poiseuille flow at finite Reynolds numbers. Our findings confirm that the particle deformation and inclination increase when inertia is present. We observe that the Segre‐Silberberg effect is suppressed with respect to the particle deformability. Depending on the deformability and strength of inertial effects, inward or outward lateral migration of the particles takes place. In particular, for increasing Reynolds numbers and strongly deformable particles, a hitherto unreported distinct flow focusing effect emerges, which is accompanied by a non-monotonic behaviour of the apparent suspension viscosity and thickness of the particle-free layer close to the channel walls. This effect can be explained by the behaviour of a single particle and the change of the particle collision mechanism when both deformability and inertia effects are relevant.

Lattice Boltzmann simulations of anisotropic particles at liquid interfaces

Complex colloidal fluids, such as emulsions stabilized by particles with complex shapes, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while still resolving the microscopic structure of a large number of particles and of the local hydrodynamics. Due to its high degree of locality, the lattice Boltzmann method, when combined with a molecular dynamics solver and parallelized on modern supercomputers, provides a tool that allows such studies. Still, running simulations on hundreds of thousands of cores is not trivial. We report on our practical experiences when employing large fractions of an IBM Blue Gene/P system for our simulations. Then, we extend our model for spherical particles in multicomponent flows to anisotropic ellipsoidal objects rendering the shape of, e.g., clay particles. The model is applied to a number of test cases including the adsorption of single particles at fluid interfaces and the formation and stabilization of Pickering emulsions or bijels.

How does confinement affect the dynamics of viscous vesicles and red blood cells

Despite its significance in microfluidics, the effect of confinement on the transition from the tank-treading (steady motion) to the tumbling (unsteady motion) dynamical state of deformable micro-particles has not been studied in detail. In this paper, we investigate the dynamics of a single viscous vesicle under confining shear as a general model system for red blood cells, capsules, or viscous droplets. The transition from tank-treading to tumbling motion can be triggered by the ratio between internal and external fluid viscosities. Here, we show that the transition can be induced solely by reducing the confinement, keeping the viscosity contrast constant. The observed dynamics results from the variation of the relative importance of viscous-, pressure-, and lubrication-induced torques exerted upon the vesicle. Our findings are of interest for designing future experiments or microfluidic devices: the possibility to trigger the tumbling-to-tank-treading transition either by geometry or viscosity contrast alone opens attractive possibilities for microrheological measurements as well as the detection and diagnosis of diseased red blood cells in confined flow.

Contact angle determination in multicomponent lattice Boltzmann simultations

Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such systems. In this paper we focus on a popular implementation of a multicomponent model as introduced by Shan and Chen. Here, interactions between different components are implemented as repulsive forces whose strength is determined by model parameters. In this paper we present simulations of a droplet on a hydrophobic surface. We investigate the dependence of the contact angle on the simulation parameters and quantitatively compare different approaches to determine it. Results show that the method is capable of modelling the whole range of contact angles. We find that the a priori determination of the contact angle is depending on the simulation parameters with an uncertainty of 10 to 20%.

Simulation of fluid flow in hydrophobic rough microchannels

Surface effects become important in microfluidic setups because the surface to volume ratio becomes large. In such setups the surface roughness is not any longer small compared to the length scale of the system and the wetting properties of the wall have an important influence on the flow. However, the knowledge about the interplay of surface roughness and hydrophobic fluid–surface interaction is still very limited because these properties cannot be decoupled easily in experiments. We investigate the problem by means of lattice Boltzmann (LB) simulations of rough microchannels with a tunable fluid–wall interaction. We introduce an ‘effective no-slip plane’ at an intermediate position between peaks and valleys of the surface and observe how the position of the wall may change due to surface roughness and hydrophobic interactions. We find that the position of the effective wall, in the case of a Gaussian distributed roughness, depends linearly on the width of the distribution. Further, we are able to show that roughness creates a nonlinear effect on the slip length for hydrophobic boundaries.