Calibration of lubrication force measurements by lattice Boltzmann simulations

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.Many experiments explore the hydrodynamic boundary of a surface by approaching a colloidal sphere and measuring the occurring lubrication force. However, in this case many different parameters like wettability and surface roughness influence the result. In the experiment these cannot be separated easily. For a deeper understanding of such surface effects a tool is required that predicts the influence of different surface properties. Here computer simulations can help. In this paper we present lattice Boltzmann simulations of a sphere submerged in a Newtonian liquid and show that our method is able to reproduce the theoretical predictions. In order to provide high precision simulation results the influence of finite size effects has to be controlled. We study the influence of the required system size and resolution of the sphere and demonstrate that already moderate computing ressources allow to keep the error below 1%.This study is funded by DFG priority program SPP 1164

Inf-sup estimates for the Stokes problem in a periodic channel

We derive estimates of the Babu\u{s}ka-Brezzi inf-sup constant $\beta$ for two-dimensional incompressible flow in a periodic channel with one flat boundary and the other given by a periodic, Lipschitz continuous function $h$. If $h$ is a constant function (so the domain is rectangular), we show that periodicity in one direction but not the other leads to an interesting connection between $\beta$ and the unitary operator mapping the Fourier sine coefficients of a function to its Fourier cosine coefficients. We exploit this connection to determine the dependence of $\beta$ on the aspect ratio of the rectangle. We then show how to transfer this result to the case that $h$ is $C^{1,1}$ or even $C^{0,1}$ by a change of variables. We avoid non-constructive theorems of functional analysis in order to explicitly exhibit the dependence of $\beta$ on features of the geometry such as the aspect ratio, the maximum slope, and the minimum gap thickness (if $h$ passes near the substrate). We give an example to show that our estimates are optimal in their dependence on the minimum gap thickness in the $C^{1,1}$ case, and nearly optimal in the Lipschitz case.Comment: 18 pages, 4 figure

Hydrodynamics of Suspensions of Passive and Active Rigid Particles: A Rigid Multiblob Approach

We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally-resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a standard Krylov solver converges in a modest number of iterations that is essentially independent of the number of particles. For unbounded suspensions and suspensions sedimented against a single no-slip boundary, we rely on existing analytical expressions for the Rotne-Prager tensor combined with a fast multipole method or a direct summation on a Graphical Processing Unit to obtain an simple yet efficient and scalable implementation. For fully confined domains, such as periodic suspensions or suspensions confined in slit and square channels, we extend a recently-developed rigid-body immersed boundary method to suspensions of freely-moving passive or active rigid particles at zero Reynolds number. We demonstrate that the iterative solver for the coupled fluid and rigid body equations converges in a bounded number of iterations regardless of the system size. We optimize a number of parameters in the iterative solvers and apply our method to a variety of benchmark problems to carefully assess the accuracy of the rigid multiblob approach as a function of the resolution. We also model the dynamics of colloidal particles studied in recent experiments, such as passive boomerangs in a slit channel, as well as a pair of non-Brownian active nanorods sedimented against a wall.Comment: Under revision in CAMCOS, Nov 201

Rigorous derivation of the thin film approximation with roughness-induced correctors

50 pagesWe derive the thin film approximation including roughness-induced correctors. This corresponds to the description of a confined Stokes flow whose thickness is of order~\eps (designed to be small)~; but we also take into account the roughness patterns of the boundary that are described at order~\eps^2, leading to a perturbation of the classical Reynolds approximation. The asymptotic expansion leading to the description of the scale effects is rigorously derived, through a sequence of Reynolds-type problems and Stokes-type (boundary layer) problems. Well-posedness of the related problems and estimates in suitable functional spaces are proved, at any order of the expansion. In particular, we show that the micro-/macro-scale coupling effects may be analysed as the consequence of two features: the interaction between the macroscopic scale (order~1) of the flow and the microscopic scale (order~\eps of the thin film) is perturbed by the interaction with a microscopic scale of order~\eps^2 related to the roughness patterns (as expected through the classical Reynolds approximation)~; moreover, the converging-diverging profile of the confined flow, which is typical in lubrication theory (note that the case of a constant cross-section channel has no interest) provides additional micro-macro-scales coupling effects

Accurate lubrication corrections for spherical and non-spherical particles in discretized fluid simulations

Discretized fluid solvers coupled to a Newtonian dynamics method are a popular tool to study suspension flow. As any simulation technique with finite resolution, the lattice Boltzmann method, when coupled to discrete particles using the momentum exchange method, resolves the diverging lubrication interactions between surfaces near contact only insufficiently. For spheres, it is common practice to account for surface-normal lubrication forces by means of an explicit correction term. A method that additionally covers all further singular interactions for spheres is present in the literature as well as a link-based approach that allows for more general shapes but does not capture non-normal interactions correctly. In this paper, lattice-independent lubrication corrections for aspherical particles are outlined, taking into account all leading divergent interaction terms. An efficient implementation for arbitrary spheroids is presented and compared to purely normal and link-based models. Good consistency with Stokesian dynamics simulations of spheres is found. The non-normal interactions affect the viscosity of suspensions of spheres at volume fractions \Phi >= 0.3 but already at \Phi >= 0.2 for spheroids. Regarding shear-induced diffusion of spheres, a distinct effect is found at 0.1 <= \Phi <= 0.5 and even increasing the resolution of the radius to 8 lattice units is no substitute for an accurate modeling of non-normal interactions.Comment: 19 pages, 10 figure

Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions

In this work we develop the Spectral Ewald Accelerated Stokesian Dynamics (SEASD), a novel computational method for dynamic simulations of polydisperse colloidal suspensions with full hydrodynamic interactions. SEASD is based on the framework of Stokesian Dynamics (SD) with extension to compressible solvents, and uses the Spectral Ewald (SE) method [Lindbo & Tornberg, J. Comput. Phys. 229 (2010) 8994] for the wave-space mobility computation. To meet the performance requirement of dynamic simulations, we use Graphic Processing Units (GPU) to evaluate the suspension mobility, and achieve an order of magnitude speedup compared to a CPU implementation. For further speedup, we develop a novel far-field block-diagonal preconditioner to reduce the far-field evaluations in the iterative solver, and SEASD-nf, a polydisperse extension of the mean-field Brownian approximation of Banchio & Brady [J. Chem. Phys. 118 (2003) 10323]. We extensively discuss implementation and parameter selection strategies in SEASD, and demonstrate the spectral accuracy in the mobility evaluation and the overall $\mathcal{O}(N\log N)$ computation scaling. We present three computational examples to further validate SEASD and SEASD-nf in monodisperse and bidisperse suspensions: the short-time transport properties, the equilibrium osmotic pressure and viscoelastic moduli, and the steady shear Brownian rheology. Our validation results show that the agreement between SEASD and SEASD-nf is satisfactory over a wide range of parameters, and also provide significant insight into the dynamics of polydisperse colloidal suspensions.Comment: 39 pages, 21 figure

Numerical methods and computers used in elastohydrodynamic lubrication

Some of the methods of obtaining approximate numerical solutions to boundary value problems that arise in elastohydrodynamic lubrication are reviewed. The highlights of four general approaches (direct, inverse, quasi-inverse, and Newton-Raphson) are sketched. Advantages and disadvantages of these approaches are presented along with a flow chart showing some of the details of each. The basic question of numerical stability of the elastohydrodynamic lubrication solutions, especially in the pressure spike region, is considered. Computers used to solve this important class of lubrication problems are briefly described, with emphasis on supercomputers

Inertial Coupling Method for particles in an incompressible fluctuating fluid

We develop an inertial coupling method for modeling the dynamics of point-like 'blob' particles immersed in an incompressible fluid, generalizing previous work for compressible fluids. The coupling consistently includes excess (positive or negative) inertia of the particles relative to the displaced fluid, and accounts for thermal fluctuations in the fluid momentum equation. The coupling between the fluid and the blob is based on a no-slip constraint equating the particle velocity with the local average of the fluid velocity, and conserves momentum and energy. We demonstrate that the formulation obeys a fluctuation-dissipation balance, owing to the non-dissipative nature of the no-slip coupling. We develop a spatio-temporal discretization that preserves, as best as possible, these properties of the continuum formulation. In the spatial discretization, the local averaging and spreading operations are accomplished using compact kernels commonly used in immersed boundary methods. We find that the special properties of these kernels make the discrete blob a particle with surprisingly physically-consistent volume, mass, and hydrodynamic properties. We develop a second-order semi-implicit temporal integrator that maintains discrete fluctuation-dissipation balance, and is not limited in stability by viscosity. Furthermore, the temporal scheme requires only constant-coefficient Poisson and Helmholtz linear solvers, enabling a very efficient and simple FFT-based implementation on GPUs. We numerically investigate the performance of the method on several standard test problems...Comment: Contains a number of corrections and an additional Figure 7 (and associated discussion) relative to published versio

Characteristic Angles in the Wetting of an Angular Region: Deposit Growth

As was shown in an earlier paper [1], solids dispersed in a drying drop migrate to the (pinned) contact line. This migration is caused by outward flows driven by the loss of the solvent due to evaporation and by geometrical constraint that the drop maintains an equilibrium surface shape with a fixed boundary. Here, in continuation of our earlier paper [2], we theoretically investigate the evaporation rate, the flow field and the rate of growth of the deposit patterns in a drop over an angular sector on a plane substrate. Asymptotic power laws near the vertex (as distance to the vertex goes to zero) are obtained. A hydrodynamic model of fluid flow near the singularity of the vertex is developed and the velocity field is obtained. The rate of the deposit growth near the contact line is found in two time regimes. The deposited mass falls off as a weak power Gamma of distance close to the vertex and as a stronger power Beta of distance further from the vertex. The power Gamma depends only slightly on the opening angle Alpha and stays between roughly -1/3 and 0. The power Beta varies from -1 to 0 as the opening angle increases from 0 to 180 degrees. At a given distance from the vertex, the deposited mass grows faster and faster with time, with the greatest increase in the growth rate occurring at the early stages of the drying process.Comment: v1: 36 pages, 21 figures, LaTeX; submitted to Physical Review E; v2: minor additions to Abstract and Introductio