Markku Kataja

Lattice-Boltzmann hydrodynamics on parallel systems

Realistic lattice-Boltzmann simulations often require large amounts of computational resources and are therefore executed on parallel systems. Generally, parallelization is based on one- and two-dimensional decomposition of the computational grid in equal subvolumes, and load balancing is completely ignored for simplicity. Besides reviewing the existing parallelization strategies we report here a new approach based on the Orthogonal Recursive Bisection (ORB) method. To illustrate the different decomposition methods, two realistic applications were simulated, namely fluid flow in random fibre networks and flow in a centrifugal elutriation chamber. For heterogeneously distributed workloads, the ORB method is found to be 12 to 60% more efficient compared to traditional parallelization strategies. It is shown that high parallel efficiencies can be obtained for both homogeneously and heterogeneously distributed workloads, thus supporting efficient simulations of a variety of realistic systems.

Transport properties of heterogeneous materials. Combining computerised X-ray micro-tomography and direct numerical simulations

Feasibility of a method for finding flow permeability of porous materials, based on combining computerised X-ray micro-tomography and numerical simulations, is assessed. The permeability is found by solving fluid flow through the complex 3D pore structures obtained by tomography for actual material samples. We estimate overall accuracy of the method and compare numerical and experimental results. Factors contributing to uncertainty of the method include numerical error arising from the finite resolution of tomographic images and the rather small sample size available with the present tomographic techniques. The total uncertainty of computed values of permeability is, however, not essentially larger than that of experimental results. We conclude that the method provides a feasible alternative for finding fluid flow properties of the kind of materials studied. It can be used to estimate all components of permeability tensor and is useful in cases where direct measurements are not achievable. Analogous methods can be applied to other modes of transport, such as diffusion and heat conduction.

Simulations of Single-Fluid Flow in Porous Media

Several results of lattice-gas and lattice-Boltzmann simulations of single-fluid flow in 2D and 3D porous media are discussed. Simulation results for the tortuosity, effective porosity and permeability of a 2D random porous medium are reported. A modified Kozeny–Carman law is suggested, which includes the concept of effective porosity. This law is found to fit well the simulated 2D permeabilities. The results for fluid flow through large 3D random fibre webs are also presented. The simulated permeabilities of these webs are found to be in good agreement with experimental data. The simulations also confirm that, for this kind of materials, permeability depends exponentially on porosity over a large porosity range.

Evaluation of a lattice-Boltzmann method for mercury intrusion porosimetry simulations

We have simulated intrusion of a non-wetting liquid into pores of varying shape and size. Simulations were based on the lattice-Boltzmann method and the Shan-Chen multiphase model. The liquid-solid contact angle for pores with circular cross-section was found to be equal to that for pores with square cross-section, and constant even for small pore sizes if the discretised shape of the circular cross-section was taken into account. For comparison, contact angle was also determined for a liquid column descending in a capillary tube, and the results were found to be consistent. Application of the method to mercury intrusion porosimetry is discussed.

Shear Stress in a Couette Flow of Liquid-Particle Suspensions

The mechanisms of momentum transfer and shear stress of liquid-particle suspensions in two-dimensional Couette flow are studied using direct numerical simulation by lattice-Boltzmann techniques. The results obtained display complex flow phenomena that arise from the two-phase nature of the fluid including a nonlinear velocity profile, layering of particles, and apparent slip near the solid walls. The general rheological behaviour of the suspension is dilatant. A detailed study of the various momentum transfer mechanisms that contribute to the total shear stress indicates that the observed shear thickening is related to enhanced relative solid phase stress for increasing shear rates.

Simulations of non-spherical particles suspended in a shear flow

The lattice-Boltzmann method was used to investigate the effects of the shape and concentration of the particles on the rheological properties of non-Brownian suspensions for non-zero Reynolds numbers. Several case studies were analyzed and the methods used were found to give accurate predictions for these systems. The viscosity of suspensions of both spherical and non-spherical particles was determined as functions of shear rate and concentration of particles. It was shown that, for high shear rates, shear thickening appears. This phenomenon is particularly pronounced for particles of irregular shape.

Three-Dimensional Microstructural Properties of Nanofibrillated Cellulose Films

Nanofibrillated cellulose (NFC) films have potential as oxygen barriers for, e.g., food packaging applications, but their use is limited by their hygroscopic characteristics. The three-dimensional microstructure of NFC films made of Pinus radiata (Radiata Pine) kraft pulp fibres has been assessed in this study, considering the structural development as a function of relative humidity (RH). The surface roughness, micro-porosity, thickness and their correlations were analyzed using X-ray microtomography (X–μCT) and computerized image analysis. The results are compared to those from scanning electron microscopy and laser profilometry. Based on a series of films having varying amounts of 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO)-mediated oxidated nanofibrils, it was demonstrated that X–μCT is suitable for assessing the surface and bulk 3D microstructure of the cellulose films. Additionally, one of the series was assessed at varying humidity levels, using the non-destructive capabilities of X–μCT and a newly developed humidity chamber for in-situ characterization. The oxygen transmission rate (OTR) of the films (20 g/m2) was below 3.7mLm−2 day−1 at humidity levels below 60% RH. However, the OTR increased considerably to 12.4mLm−2 day−1 when the humidity level increased to 80% RH. The increase in OTR was attributed to a change of the film porosity, which was reflected as an increase in local thickness. Hence, the characterization techniques applied in this study shed more light on the structures of NFC films and how they are affected by varying humidity levels. It was demonstrated that in increasing relative humidity the films swelled and the oxygen barrier properties decreased.

Structural Characterisation of Kraft Pulp Fibres and Their Nanofibrillated Materials for Biodegradable Composite Applications

Structural Characterisation of Kraft Pulp Fibres and Their Nanofibrillated Materials for Biodegradable Composite Applications

Hydrodynamical forces acting on particles in a two-dimensional flow near a solid wall

The hydrodynamical forces acting on a single particle and on a random rigid array of particles suspended in a two-dimensional shear flow of Newtonian fluid near a rigid wall were studied numerically in the flow regime where the relevant Reynolds numbers are of the order of unity. The simulations were done with conventional finite volume method for single-particle cases and with lattice-Boltzmann method for many-particle cases. A set of comparison cases was solved with both methods in order to check the accuracy of the lattice-Boltzmann method. For the single-particle case analytic formulae for the longitudinal drag force and for the transverse lift force were found. A modification to Darcys law is proposed which takes into account the increase of the drag force near a moving wall. In the flow conditions studied here, the lift force acting on the particle array was found to be repulsive close to the wall, but becomes weakly attractive as the distance from the wall is increased.

Coupling of longitudinal and transverse flows in the hydrodynamics of ultrarelativistic nuclear collisions

Abstract The space—time evolution of matter produced in high energy nuclear collisions is explored using a three dimensional hydrodynamic model. A significant coupling between longitudinal and transverse hydrodynamic flows is observed. This coupling of flows may be used to infer the degree of stopping in heavy ion experiments. These results are illustrated by qualitative fits to the CERN NA35 data for S+S collisions at 200 GeV nucleon .