Well designed lattice-Boltzmann codes exploit the essentially embarrassingly parallel features of the algorithm and so can be run with considerable efficiency on modern supercomputers. Such scalable codes permit us to simulate the behaviour of increasingly large quantities of complex condensed matter systems. In the present paper, we present some preliminary results on the large scale three-dimensional lattice-Boltzmann simulation of binary immiscible fluid flows through a porous medium derived from digitised x-ray microtomographic data of Bentheimer sandstone, and from the study of the same fluids under shear. Simulations on such scales can benefit considerably from the use of computational steering and we describe our implementation of steering within the lattice-Boltzmann code, called LB3D, making use of the RealityGrid steering library. Our large scale simulations benefit from the new concept of capability computing, designed to prioritise the execution of big jobs on major supercomputing resources. The advent of persistent computational grids promises to provide an optimal environment in which to deploy these mesoscale simulation methods, which can exploit the distributed nature of compute, visualisation and storage resources to reach scientific results rapidly; we discuss our work on the grid-enablement of lattice-Boltzmann methods in this context.
In this paper, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is developed for simulating incompressible axisymmetric thermal flows in porous media at the representative elementary volume (REV) scale. In the model, a D2Q9 MRT-LB equation is proposed to solve the flow field in addition to the D2Q5 LB equation for the temperature field. The source terms of the model are simple and contain no velocity and temperature gradient terms. The generalized axisymmetric Navier-Stokes equations for axisymmetric flows in porous media are correctly recovered from the MRT-LB model through the C…
During the last decade, lattice-Boltzmann (LB) simulations have been improved to become an efficient tool for determining the permeability of porous media samples. However, well known improvements of the original algorithm are often not implemented. These include for example multirelaxation time schemes or improved boundary conditions, as well as different possibilities to impose a pressure gradient. This paper shows that a significant difference of the calculated permeabilities can be found unless one uses a carefully selected setup. We present a detailed discussion of possible simulation set…
Double-diffusive convection in porous media is a common phenomenon in nature, and has received considerable attention in a wide variety of engineering applications. In this paper, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is developed for simulating double-diffusive convection in porous media at the representative elementary volume scale. The MRT-LB model is constructed in the framework of the triple-distribution-function approach: the velocity field, the temperature and concentration fields are solved separately by three different MRT-LB equations. The present model has tw…
A upscaled lattice Boltzmann method (LBM) for flow simulations in heterogeneous porous media, at both pore and Darcy scales, is proposed in this paper. In the micro-scale simulations, we model flows using LBM with the modified Guo et al. algorithm where we replace the force model with a simple Shan-Chen force model. The proposed upscaled LBM uses coarser grids to represent the effects of the fine-grid (pore-scale) simulations. For the upscaled LBM, effective properties and reduced-order models are proposed as we coarsen the grid. The effective properties are computed using solutions of local p…
We generalize to three dimensions (3D) a recently developed improved multi-component pseudopotential lattice Boltzmann method and analyze its applicability to simulate flows through realistic porous media. The model is validated and characterized via benchmarks, and we investigate its performance by simulating the displacement of immiscible fluids in 3D geometries. Two samples are considered, namely, a pack of spheres obtained numerically, and a Bentheimer sandstone rock sample obtained experimentally. We show that, with this model it is possible to simulate realistic viscosity ratios, to tune…
Over the last two decades, lattice Boltzmann methods have become an increasingly popular tool to compute the flow in complex geometries such as porous media. In addition to single phase simulations allowing, for example, a precise quantification of the permeability of a porous sample, a number of extensions to the lattice Boltzmann method are available which allow to study multiphase and multicomponent flows on a pore scale level. In this article we give an extensive overview on a number of these diffuse interface models and discuss their advantages and disadvantages. Furthermore, we shortly r…
In this paper, a two-dimensional eight-velocity (D2Q8) multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is proposed for incompressible porous flows at the representative elementary volume scale based on the Brinkman-Forchheimer-extended Darcy formulation. In the model, the porosity is included into the pressure-based equilibrium moments, and the linear and nonlinear drag forces of the porous media are incorporated into the model by adding a forcing term to the MRT-LB equation in the moment space. Through the Chapman-Enskog analysis, the generalized Navier-Stokes equations can be rec…
Immiscible fluid displacement in porous media occurs in several natural and industrial processes. For example, during petroleum extraction from porous rock reservoirs, water is used to displace oil. In this paper, we investigate primary drainage and imbibition in a heterogeneous porous medium using an improved numerical model based on the multicomponent pseudopotential lattice Boltzmann method. We apply recent developments from the literature and develop new pressure boundary conditions. We show that the proposed model is able to simulate realistic viscosity ratios, and it allows independent t…
In this paper, a three-dimensional (3D) multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is presented for convection heat transfer in porous media at the representative elementary volume (REV) scale. The model is developed in the framework of the double-distribution-function (DDF) approach: an MRT-LB model of the density distribution function with the D3Q19 lattice (or D3Q15 lattice) is proposed to simulate the flow field based on the generalized non-Darcy model, while an MRT-LB model of the temperature distribution function with the D3Q7 lattice is proposed to simulate the temperat…
In this paper, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is proposed for convection heat transfer in porous media under local thermal non-equilibrium (LTNE) condition. The model is constructed within the framework of the three-distribution-function approach: two temperature-based MRT-LB equations are proposed for the temperature fields of fluid and solid phases in addition to the MRT-LB equation of a density distribution function for the velocity field described by the generalized non-Darcy model. The thermal non-equilibrium effects are incorporated into the model by adding…
In this paper, a two-dimensional (2D) multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is developed for simulating convection heat transfer in porous media at the representative elementary volume scale. In the model, a MRT-LB equation is used to simulate the flow field, while another MRT-LB equation is employed to simulate the temperature field. The effect of the porous media is considered by introducing the porosity into the equilibrium moments, and adding a forcing term to the MRT-LB equation of the flow field in the moment space. The present MRT-LB model is validated by numerical…
In this paper, a lattice Boltzmann (LB) model with double distribution functions is proposed for two-phase flow in porous media where one distribution function is used for pressure governed by the Poisson equation, and the other is applied for saturation evolution described by the convection-diffusion equation with a source term. We first performed a Chapman-Enskog analysis, and show that the macroscopic nonlinear equations for pressure and saturation can be recovered correctly from present LB model. Then in the framework of LB method, we develop a local scheme for pressure gradient or equival…
Since its introduction 30 years ago, the lattice Boltzmann (LB) method has achieved great success in simulating fluid flows and modeling physics in fluids. Owing to its kinetic nature, the LB method has the capability to incorporate the essential microscopic or mesoscopic physics, and it is particularly successful in modeling transport phenomena involving complex boundaries and interfacial dynamics. The LB method can be considered to be an efficient numerical tool for fluid flow and heat transfer in porous media. Moreover, since the LB method is inherently transient, it is especially useful fo…
Lattice-Boltzmann (LB) simulations are a common tool to numerically estimate the permeability of porous media. For valuable results, the porous structure has to be well resolved resulting in a large computational effort as well as high memory demands. In order to estimate the permeability of realistic samples, it is of importance to not only implement very efficient codes, but also to choose the most appropriate simulation setup to achieve accurate results. With the focus on accuracy and computational effort, we present a comparison between different methods to apply an effective pressure grad…
Porous asphalt (PA) is an open-graded porous material with a porosity of 20%, allowing fast drainage of rain and improving driving and acoustic conditions. However, the high porosity leads to significant contact with water resulting in a shorter life expectancy. To improve the durability and performance of PA, the distribution of water and its residence time have to be understood which entails capturing diverse multiphase phenomena. For these reasons, a numerical study is performed to analyze in detail the fluid transport mechanisms at play in PA, towards estimating the liquid distribution ins…
A high-performance gas kinetic solver using multi-level parallelization is developed to enable pore-scale simulations of rarefied flows in porous media. The Boltzmann model equation is solved by the discrete velocity method with an iterative scheme. The multi-level MPI/OpenMP parallelization is implemented with the aim to efficiently utilise the computational resources to allow direct simulation of rarefied gas flows in porous media based on digital rock images for the first time. The multi-level parallel approach is analyzed in details confirming its better performance than the commonly-used …
The flow through a porous medium strongly depends on the boundary conditions, very often assumed to be static. Here, we consider changes in the medium due to swelling and erosion and extend existing Lattice-Boltzmann models to include both. We study two boundary conditions: a constant pressure drop and a constant flow rate. For a constant flow rate, the steady state depends solely on the erosion dynamics while for a constant pressure drop it depends also on the timescale of swelling. We analyze the competition between swelling and erosion and identify a transition between regimes where either …
A numerical method, based on the discrete lattice Boltzmann equation, is presented for solving the volume-averaged Navier-Stokes equations. With a modified equilibrium distribution and an additional forcing term, the volume-averaged Navier-Stokes equations can be recovered from the lattice Boltzmann equation in the limit of small Mach number by the Chapman-Enskog analysis and Taylor expansion. Due to its advantages such as explicit solver and inherent parallelism, the method appears to be more competitive with traditional numerical techniques. Numerical simulations show that the proposed model…
We report a Lattice-Boltzmann scheme that accounts for adsorption and desorption in the calculation of mesoscale dynamical properties of tracers in media of arbitrary complexity. Lattice Boltzmann simulations made it possible to solve numerically the coupled Navier-Stokes equations of fluid dynamics and Nernst-Planck equations of electrokinetics in complex, heterogeneous media. Associated to the moment propagation scheme, it became possible to extract the effective diffusion and dispersion coefficients of tracers, or solutes, of any charge, e.g. in porous media. Nevertheless, the dynamical pro…
The lattice Boltzmann method (LBM) is a popular numerical framework to investigate single and multiphase flow though porous media. For estimation of absolute permeability based on micro-tomographic images of the porous medium, the single-relaxation time (SRT) collision model is the most widely-used, although the multiple-relaxation-time (MRT) collision model also has recently acquired wider usage, especially for industrial applications. However, the SRT collision model and a sub-optimal choice of the MRT collision parameters can both lead to permeability predictions that depend on the relaxati…
Most of the lattice Boltzmann methods simulate an approximation of the sharp interface problem of dissolution and precipitation. In such studies the curvature-driven motion of interface is neglected in the Gibbs-Thomson condition. In order to simulate those phenomena with or without curvature-driven motion, we propose a phase-field model which is derived from a thermodynamic functional of grand-potential. Compared to the free energy, the main advantage of the grand-potential is to provide a theoretical framework which is consistent with the equilibrium properties such as the equality of chemic…
Darcy's law and the Brinkman equation are two main models used for creeping fluid flows inside moving permeable particles. For these two models, the time derivative and the nonlinear convective terms of fluid velocity are neglected in the momentum equation. In this paper, a new momentum equation including these two terms are rigorously derived from the pore-scale microscopic equations by the volume-averaging method, which can reduces to Darcy's law and the Brinkman equation under creeping flow conditions. Using the lattice Boltzmann equation method, the macroscopic equations are solved for the…
This paper proposes an approach combining the Volume Penalization (VP) and the the Lattice Boltzmann method (LBM) to compute fluid structure interaction involving rigid bodies. The method consists in adding a force term in the LBM formulation, and thus considers the rigid body similar to particular porous media. Using a characteristic function for the solid domain avoids the expensive tracking of the fluid-solid interface employed commonly in LBM to treat FSI problems. The method is applied to three FSI problems and solved using a Graphics Processor Units (GPU) device. The applications focus o…
Significant improvements in the computational performance of the lattice-Boltzmann (LB) model, coded in FORTRAN90, were achieved through application of enhancement techniques. Applied techniques include optimization of array memory layouts, data structure simplification, random number generation outside the simulation thread(s), code parallelization via OpenMP, and intra- and inter-timestep task pipelining. Effectiveness of these optimization techniques was measured on three benchmark problems: (i) transient flow of multiple particles in a Newtonian fluid in a heterogeneous fractured porous do…
Convolutional neural networks (CNN) are utilized to encode the relation between initial configurations of obstacles and three fundamental quantities in porous media: porosity ($φ$), permeability $k$, and tortuosity ($T$). The two-dimensional systems with obstacles are considered. The fluid flow through a porous medium is simulated with the lattice Boltzmann method. It is demonstrated that the CNNs are able to predict the porosity, permeability, and tortuosity with good accuracy. With the usage of the CNN models, the relation between $T$ and $φ$ has been reproduced and compared with the empiric…
An iterative scheme can be used to find a steady-state solution to the Boltzmann equation, however, it is very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the solution of the linearized Boltzmann equation. The velocity distribution function is first solved by the conventional iterative scheme, then it is corrected such that the macroscopic flow velocity is governed by a diffusion equation which is asymptotic-preserving in the Navier-Stokes limit. The efficiency of the new scheme is verified by calculating the eigenval…
This paper presents a spatially and temporally adaptive boundary condition to specify the volumetric flux for lattice Boltzmann methods. The approach differs from standard velocity boundary conditions because it allows the velocity to vary over the boundary region provided that the total flux through the boundary satisfies a prescribed constraint, which is a typical scenario for laboratory experimental studies. This condition allows the boundary pressure to adjust dynamically to yield a specified boundary flow rate as a means to avoid unphysical mismatch between the boundary velocity and the i…
The development of high-efficiency porous catalyst membranes critically depends on our understanding of where the majority of the chemical conversions occur within the porous structure. This requires mapping of chemical reactions and mass transport inside the complex nano-scale architecture of porous catalyst membranes which is a multiscale problem in both the temporal and spatial domain. To address this problem, we developed a multi-scale mass transport computational framework based on the Lattice Boltzmann Method (LBM) that allows us to account for catalytic reactions at the gas-solid interf…
We determine properties of the lattice Boltzmann method for semiclassical fluids, which is based on the Boltzmann equation and the equilibrium distribution function is given either by the Bose-Einstein or the Fermi-Dirac ones. New D-dimensional polynomials, that generalize the Hermite ones, are introduced and we find that the weight that renders the polynomials orthonormal has to be approximately equal, or equal, to the equilibrium distribution function itself for an efficient numerical implementation of the lattice Boltzmann method. In light of the new polynomials we discuss the convergence o…
Lattice Boltzmann models provide better understanding with mesoscopic eyesight on multi-component diffusion than macroscopic models. Based on the kinetic theory and starting from the He-Luo model, the state-of-the-art multi-component diffusion Lattice Boltzmann models have defects of the compressible error and the limitations for velocity and viscosity settings in lattice units. With these respects, a new Lattice Boltzmann model is presented based on the advection-diffusion equation and is coupled with the Maxwell-Stefan equation by relaxation time. Without introducing the pressure term into t…
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 simulation 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 on…
The lattice Bhatnagar-Gross-Krook (LBGK) model has become the most popular one in the lattice Boltzmann method for simulating the convection heat transfer in porous media. However, the LBGK model generally suffers from numerical instability at low fluid viscosities and effective thermal diffusivities. In this paper, a modified LBGK model is developed for incompressible thermal flows in porous media at the representative elementary volume scale, in which the shear rate and temperature gradient are incorporated into the equilibrium distribution functions. With two additional parameters, the rela…
Physics-informed convolutional neural networks for fluid flow through porous media
Dioscuri Center in Topological Data Analysis, Institute of Mathematics, Polish Academy of Sciences（拓扑数据分析迪奥斯库里中心，波兰科学院数学研究所）；Institute of Experimental Physics, Faculty of Physics and Astronomy, University of Wrocław（物理学与天文学系实验物理研究所，沃林堡大学）；Institute of Theoretical Physics, Faculty of Physics and Astronomy, University of Wrocław（天文学与物理学系理论物理研究所，沃林堡大学）；Parallel and Distributed Systems Laboratory, Jožef Stefan Institute（乔泽夫·斯蒂芬研究所并行与分布式系统实验室）
High-resolution porous structures of catalyst layer (CL) with multicomponent in proton exchange membrane fuel cells are reconstructed using a reconstruction method called quartet structure generation set. Characterization analyses of nanoscale structures are implemented including pore size distribution, specific area and phase connectivity. Pore-scale simulation methods based on the lattice Boltzmann method are developed and used to predict the macroscopic transport properties including effective diffusivity and proton conductivity. Nonuniform distributions of ionomer in CL generates more tort…
A Generative Deep Learning and Explainable Machine Learning Framework for Heat Transfer Prediction and Analysis in Porous Structures with Oscillatory Flows
Department of Mechanical and Aerospace Engineering, University of Houston（休斯顿大学机械与航空航天工程系）；Department of Mechanical Engineering, Rice University（莱斯大学机械工程系）；Department of Mechanical Engineering, Embry‑Riddle Aeronautical University（埃默里-里德尔航空大学机械工程系）
Several possibilities exist to implement the propagation step of the lattice Boltzmann method. This paper describes common implementations which are compared according to the number of memory transfer operations they require per lattice node update. A memory bandwidth based performance model is then used to obtain an estimation of the maximal reachable performance on different machines. A subset of the discussed implementations of the propagation step were benchmarked on different Intel and AMD-based compute nodes using the framework of an existing flow solver which is specially adapted to sim…
By means of the multicomponent Shan-Chen lattice Boltzmann method (LBM), we investigate the multiphase flow through porous media. Despite the excellent accuracy of the LBM, large domains result in unaffordable computational expenses. The Hybrid model developed in this study is based on a pore-network (PN) approach that enhances a decomposition of the granular assembly into small subsets (pore throats). Lattice Boltzmann simulations are performed for each pore throat to determine the hydrodynamic properties (entry capillary pressure, primary drainage curve, liquid morphology, etc) at the micros…
Direct pore scale simulations of two-fluid flow on digital rock images provide a promising tool to understand the role of surface wetting phenomena on flow and transport in geologic reservoirs. We present computational protocols that mimic conventional special core analysis laboratory (SCAL) experiments, which are implemented within the open source LBPM software package. Protocols are described to simulate unsteady displacement, steady-state flow at fixed saturation, and to mimic centrifuge experiments. These methods can be used to infer relative permeability and capillary curves, and otherwis…
Neural Networks for Predicting Permeability Tensors of 2D Porous Media: Comparison of Convolution- and Transformer-based Architectures
PoreLab, The Njord Centre, Department of Physics, University of Oslo（PoreLab、Njord中心、物理系、奥斯陆大学）；PoreLab, Department of Physics, Norwegian University of Science and Technology（PoreLab、物理系、挪威科学技术大学）；The Njord Centre, Department of Physics, University of Oslo（Njord中心、物理系、奥斯陆大学）
We propose a method to model metallic surfaces in Lattice Boltzmann Electrokinetics simulations (LBE), a lattice-based algorithm rooted in kinetic theory which captures the coupled solvent and ion dynamics in electrolyte solutions. This is achieved by a simple rule to impose electrostatic boundary conditions, in a consistent way with the location of the hydrodynamic interface for stick boundary conditions. The proposed method also provides the local charge induced on the electrode by the instantaneous distribution of ions under voltage. We validate it in the low voltage regime by comparison wi…
Numerical Simulation of Oscillating Multiphase Heat Transfer in Parallel plates using Pseudopotential Multiple-Relaxation-Time Lattice Boltzmann Method
Scientific computing is at the core of many High-Performance Computing applications, including computational flow dynamics. Because of the uttermost importance to simulate increasingly larger computational models, hardware acceleration is receiving increased attention due to its potential to maximize the performance of scientific computing. A Field-Programmable Gate Array is a reconfigurable hardware accelerator that is fully customizable in terms of computational resources and memory storage requirements of an application during its lifetime. Therefore, it is an ideal candidate to accelerate …
Fast prediction of permeability directly from images enabled by image recognition neural networks is a novel pore-scale modeling method that has a great potential. This article presents a framework that includes (1) generation of porous media samples, (2) computation of permeability via fluid dynamics simulations, (3) training of convolutional neural networks (CNN) with simulated data, and (4) validations against simulations. Comparison of machine learning results and the ground truths suggests excellent predictive performance across a wide range of porosities and pore geometries, especially f…
