On-site boundary conditions are often desired for lattice Boltzmann simulations of fluid flow in complex geometries such as porous media or microfluidic devices. The possibility to specify the exact position of the boundary, independent of other simu
lation parameters, simplifies the analysis of the system. For practical applications it should allow to freely specify the direction of the flux, and it should be straight forward to implement in three dimensions. Furthermore, especially for parallelized solvers it is of great advantage if the boundary condition can be applied locally, involving only information available on the current lattice site. We meet this need by describing in detail how to transfer the approach suggested by Zou and He to a D3Q19 lattice. The boundary condition acts locally, is independent of the details of the relaxation process during collision and contains no artificial slip. In particular, the case of an on-site no-slip boundary condition is naturally included. We test the boundary condition in several setups and confirm that it is capable to accurately model the velocity field up to second order and does not contain any numerical slip.
We investigate velocity probability distribution functions (PDF) of sheared hard-sphere suspensions. As observed in our Stokes flow simulations and explained by our single-particle theory, these PDFs can show pronounced deviations from a Maxwell-Bolt
zmann distribution. The PDFs are symmetric around zero velocity and show a Gaussian core and exponential tails over more than six orders of magnitude of probability. Following the excellent agreement of our theory and simulation data, we demonstrate that the distribution functions scale with the shear rate, the particle volume concentration, as well as the fluid viscosity.
On hydrophobic surfaces, roughness may lead to a transition to a superhydrophobic state, where gas bubbles at the surface can have a strong impact on a detected slip. We present two-phase lattice Boltzmann simulations of a Couette flow over structure
d surfaces with attached gas bubbles. Even though the bubbles add slippery surfaces to the channel, they can cause negative slip to appear due to the increased roughness. The simulation method used allows the bubbles to deform due to viscous stresses. We find a decrease of the detected slip with increasing shear rate which is in contrast to some recent experimental results implicating that bubble deformation cannot account for these experiments. Possible applications of bubble surfaces in microfluidic devices are discussed.
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 non-linear effect on the slip length for hydrophobic boundaries.
We simulate cluster formation of model colloidal particles interacting via DLVO (Derjaguin, Landau, Vervey, Overbeek) potentials. The interaction potentials can be related to experimental conditions, defined by the pH-value, the salt concentration an
d the volume fraction of solid particles suspended in water. The system shows different structural properties for different conditions, including cluster formation, a glass-like repulsive structure, or a liquid suspension. Since many simulations are needed to explore the whole parameter space, when investigating the properties of the suspension depending on the experimental conditions, we have developed a steering approach to control a running simulation and to detect interesting transitions from one region in the configuration space to another. The advantages of the steering approach and the restrictions of its applicability due to physical constraints are illustrated by several example cases.
Surface roughness becomes relevant if typical length scales of the system are comparable to the scale of the variations as it is the case in microfluidic setups. Here, an apparent boundary slip is often detected which can have its origin in the assum
ption of perfectly smooth boundaries. We investigate the problem by means of lattice Boltzmann (LB) simulations and introduce an ``effective no-slip plane at an intermediate position between peaks and valleys of the surface. Our simulations show good agreement with analytical results for sinusoidal boundaries, but can be extended to arbitrary geometries and experimentally obtained surface data. We find that the detected apparent slip is independent of the detailed boundary shape, but only given by the distribution of surface heights. Further, we show that the slip diverges as the amplitude of the roughness increases.
