A distributed parallel multiple-relaxation-time lattice Boltzmann method on general-purpose graphics processing units for the rapid and scalable computation of absolute permeability from high-resolution 3D micro-CT images

Digital rock physics (DRP) is a rapidly evolving technology targeting fast turnaround times for repeatable core analysis and multi-physics simulation of rock properties. We develop and validate a rapid and scalable distributed-parallel single-phase pore-scale flow simulator for permeability estimation on real 3D pore-scale micro-CT images using a novel variant of the lattice Boltzmann method (LBM). The LBM code implementation is designed to take maximum advantage of distributed computing on multiple general-purpose graphics processing units (GPGPUs). We describe and extensively test the distributed parallel implementation of an innovative LBM algorithm for simulating flow in pore-scale media based on the multiple-relaxation-time (MRT) model that utilizes a precise treatment of body force. While the individual components of the resulting simulator can be separately found in various references, our novel contributions are (1) the integration of all of the mathematical and high-performance computing components together with a highly optimized code implementation and (2) the delivery of quantitative results with the simulator in terms of robustness, accuracy, and computational efficiency for a variety of flow geometries including various types of real rock images. We report on extensive validations of the simulator in terms of accuracy and provide near-ideal distributed parallel scalability results on large pore-scale image volumes that were largely computationally inaccessible prior to our implementation. We validate the accuracy of the MRT-LBM simulator on model geometries with analytical solutions. Permeability estimation results are then provided on large 3D binary microstructures including a sphere pack and rocks from various sandstone and carbonate formations. We quantify the scalability behavior of the distributed parallel implementation of MRT-LBM as a function of model type/size and the number of utilized GPGPUs for a panoply of permeability estimation problems.     

Laboratory validation of lattice Boltzmann method for modeling pore-scale flow in granular materials

Characteristics of fluid flow through various engineering structures, such as granular filters and asphalt pavements, influence their design life. Numerical simulation of fluid flow is useful for evaluating the hydraulic characteristics of these materials. Among various techniques, the lattice Boltzmann (LB) method is widely accepted due to the ease of implementing boundary conditions and the numerical stability in a wide variety of flow conditions. It has proven to be extremely efficient in the simulation of fluid flow through the complex geometries of granular materials. In this study, two-dimensional and three-dimensional LB models were developed to represent pore-scale monophasic Newtonian incompressible fluid flow in granular materials. Three-dimensional geometries of compacted aggregates and asphalt specimens were generated from X-ray Computed Tomography technique and used as input for the LB model. The accuracy of the models was verified by comparing the results with analytical solutions of simple geometries and hydraulic conductivity measurements on the compacted aggregates and hot mix asphalt specimens. The results of LB simulations were in excellent agreement with those obtained from analytical calculations and laboratory measurements.     

Multiphase lattice Boltzmann simulations for porous media applications

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 report on multiphase flows containing solid particles, as well as implementation details and optimization issues.     

格子玻尔兹曼方法及其在大气湍流研究中的应用

文章的目的是对格子玻尔兹曼方法进行系统的介绍，格子玻尔兹曼方法(Lattice Boltzmann Method)的出现直接来源于20世纪60年代的元胞自动机(Cellular Automata)思想，而这一方法用于解决流动现象时，又可以追溯到19世纪的分子运动论，求解的是Boltzmann提出的玻尔兹曼输运方程，因此将这一方法称为格子玻尔兹曼方法，之前也被称为格子气自动机(Lattice Gas Automaton)。该方法多用于研究复杂现象，如材料晶体凝聚时的生长过程、城市土地利用的演化等方面。在20世纪70年代由Hardy、Pomeau和Pazzis建立了第一个用于研究流体运动的格子气自动机，此后，这一方法被广泛用来模拟各种流动问题，诸如二相流、孔隙介质中的渗流等，并根据这一方法开发了相应的商业软件PowerFlow。同时，格子玻尔兹曼方法由于其在微观水平描述运动的特点，成为研究湍流的一个很好的数值计算工具，特别是用其进行直接数值模拟(DNS)计算，成为继传统的差分法、有限体积法和谱方法之后的又一有力的手段。而作为大气运动的一个主要现象的大气湍流，比普通湍流更加复杂，在这里着重介绍了大气湍流的特点和应用格子玻尔兹曼方法模拟湍流的发展过程。     

A phase-field method for the direct simulation of two-phase flows in pore-scale media using a non-equilibrium wetting boundary condition

Advances in pore-scale imaging (e.g., μ-CT scanning), increasing availability of computational resources, and recent developments in numerical algorithms have started rendering direct pore-scale numerical simulations of multi-phase flow on pore structures feasible. Quasi-static methods, where the viscous and the capillary limit are iterated sequentially, fall short in rigorously capturing crucial flow phenomena at the pore scale. Direct simulation techniques are needed that account for the full coupling between capillary and viscous flow phenomena. Consequently, there is a strong demand for robust and effective numerical methods that can deliver high-accuracy, high-resolution solutions of pore-scale flow in a computationally efficient manner. Direct simulations of pore-scale flow on imaged volumes can yield important insights about physical phenomena taking place during multi-phase, multi-component displacements. Such simulations can be utilized for optimizing various enhanced oil recovery (EOR) schemes and permit the computation of effective properties for Darcy-scale multi-phase flows.We implement a phase-field model for the direct pore-scale simulation of incompressible flow of two immiscible fluids. The model naturally lends itself to the transport of fluids with large density and viscosity ratios. In the phase-field approach, the fluid-phase interfaces are expressed in terms of thin transition regions, the so-called diffuse interfaces, for increased computational efficiency. The conservation law of mass for binary mixtures leads to the advective Cahn–Hilliard equation and the condition that the velocity field is divergence free. Momentum balance, on the other hand, leads to the Navier–Stokes equations for Newtonian fluids modified for two-phase flow and coupled to the advective Cahn–Hilliard equation. Unlike the volume of fluid (VoF) and level-set methods, which rely on regularization techniques to describe the phase interfaces, the phase-field method facilitates a thermodynamic treatment of the phase interfaces, rendering it more physically consistent for the direct simulations of two-phase pore-scale flow. A novel geometric wetting (wall) boundary condition is implemented as part of the phase-field method for the simulation of two-fluid flows with moving contact lines. The geometric boundary condition accurately replicates the prescribed equilibrium contact angle and is extended to account for dynamic (non-equilibrium) effects. The coupled advective Cahn–Hilliard and modified Navier–Stokes (phase-field) system is solved by using a robust and accurate semi-implicit finite volume method. An extension of the momentum balance equations is also implemented for Herschel–Bulkley (non-Newtonian) fluids. Non-equilibrium-induced two-phase flow problems and dynamic two-phase flows in simple two-dimensional (2-D) and three-dimensional (3-D) geometries are investigated to validate the model and its numerical implementation. Quantitative comparisons are made for cases with analytical solutions. Two-phase flow in an idealized 2-D pore-scale conduit is simulated to demonstrate the viability of the proposed direct numerical simulation approach.     

A lattice Boltzmann model for noble gas diffusion in solids: The importance of domain shape and diffusive anisotropy and implications for thermochronometry

Thermochronometry based on radiogenic noble gases is critically dependent upon accurate knowledge of the kinetics of diffusion. With few exceptions, complex natural crystals are represented by ideal geometries such as infinite sheets, infinite cylinders, or spheres, and diffusivity is assumed to be isotropic. However, the physical boundaries of crystals generally do not conform to ideal geometries and diffusion within some crystals is known to be anisotropic. Our failure to incorporate such complexities into diffusive models leads to inaccuracies in both thermal histories and diffusion parameters calculated from fractional release data. To address these shortcomings we developed a code based on the lattice Boltzmann (LB) method to model diffusion from complex 3D geometries having isotropic, temperature-independent anisotropic, and temperature-dependent anisotropic diffusivity. In this paper we outline the theoretical basis for the LB code and highlight several advantages of this model relative to more traditional finite difference approaches. The LB code, along with existing analytical solutions for diffusion from simple geometries, is used to investigate the affect of intrinsic crystallographic features (e.g., crystal topology and diffusion anisotropy) on calculated diffusion parameters and a novel method for approximating thermal histories from crystals with complex topologies and diffusive anisotropy is presented.     

Upscaling of Navier–Stokes equations in porous media: Theoretical, numerical and experimental approach

The accurate estimation of hydraulic conductivity is important for many geotechnical engineering applications, as the presence of fluids affects all aspects of soil behaviour, including its strength. Darcy’s law is the key experimental (or phenomenological) equation employed to model ground water flow. Yet, this phenomenological equation can be linked to a more fundamental microscale model of flow through the pore spaces of the porous material. This paper provides an experimental verification of the relationships between Darcy’s law (macroscale) and the Navier–Stokes equations (microscale) for actual complex pore geometries of a granular material. The pore geometries are experimentally obtained through state-of-the-art X-ray computer assisted micro-tomography. From the numerical modelling of the microscale flow based on actual pore geometries, it is possible to quantify and visualize the development of pore-scale fluid preferential flow-paths through the porous material, and to assess the importance of pore connectivity in soil transport properties.     

Calculating the effective permeability of sandstone with multiscale lattice Boltzmann/finite element simulations

The lattice Boltzmann (LB) method is an efficient technique for simulating fluid flow through individual pores of complex porous media. The ease with which the LB method handles complex boundary conditions, combined with the algorithm’s inherent parallelism, makes it an elegant approach to solving flow problems at the sub-continuum scale. However, the realities of current computational resources can limit the size and resolution of these simulations. A major research focus is developing methodologies for upscaling microscale techniques for use in macroscale problems of engineering interest. In this paper, we propose a hybrid, multiscale framework for simulating diffusion through porous media. We use the finite element (FE) method to solve the continuum boundary-value problem at the macroscale. Each finite element is treated as a sub-cell and assigned permeabilities calculated from subcontinuum simulations using the LB method. This framework allows us to efficiently find a macroscale solution while still maintaining information about microscale heterogeneities. As input to these simulations, we use synchrotron-computed 3D microtomographic images of a sandstone, with sample resolution of 3.34 μm. We discuss the predictive ability of these simulations, as well as implementation issues. We also quantify the lower limit of the continuum (Darcy) scale, as well as identify the optimal representative elementary volume for the hybrid LB–FE simulations.     

Hydro-micromechanical modeling of wave propagation in saturated granular crystals

Biot theory predicts wave velocities in a saturated granular medium using the pore geometry, viscosity, densities, and elastic moduli of the solid skeleton and pore fluid, neglecting the interaction between constituent particles and local flow, which becomes essential as the wavelength decreases. Here, a hydro-micromechanical model, for direct numerical simulations of wave propagation in saturated granular media, is implemented by two-way coupling the lattice Boltzmann method (LBM) and the discrete element method (DEM), which resolve the pore-scale hydrodynamics and intergranular behavior, respectively. The coupling scheme is benchmarked with the terminal velocity of a single sphere settling in a fluid. In order to mimic a small amplitude pressure wave entering a saturated granular medium, an oscillating pressure boundary on the fluid is implemented and benchmarked with the one-dimensional wave equation. The effects of input waveforms and frequencies on the dispersion relations in 3D saturated poroelastic media are investigated with granular face-centered-cubic crystals. Finally, the pressure and shear wave velocities predicted by the numerical model at various effective confining pressures are found to be in excellent agreement with Biot analytical solutions, including his prediction for slow compressional waves.     

Limitations of Lattice Boltzmann Modeling of Micro‐Flows in Complex Nanopores

The multiscale transport mechanism of methane in unconventional reservoirs is dominated by slip and transition flows resulting from the ultra-low permeability of micro/nano-scale pores, which requires consideration of the microscale and rarefaction effects. Traditional continuum-based computational fluid dynamics (CFD) becomes problematic when modeling micro-gaseous flow in these multiscale pore networks because of its disadvantages in the treatment of cases with a complicated boundary. As an alternative, the lattice Boltzmann method (LBM), a special discrete form of the Boltzmann equation, has been widely applied to model the multi-scale and multi-mechanism flows in unconventional reservoirs, considering its mesoscopic nature and advantages in simulating gas flows in complex porous media. Consequently, numerous LBM models and slip boundary schemes have been proposed and reported in the literature. This study investigates the predominately reported LBM models and kinetic boundary schemes. The results of these LBM models systematically compare to existing experimental results, analytical solutions of Navier-Stokes, solutions of the Boltzmann equation, direct simulation of Monte Carlo (DSMC) and information-preservation DSMC (IP_DSMC) results, as well as the numerical results of the linearized Boltzmann equation by the discrete velocity method (DVM). The results point out the challenges and limitations of existing multiple-relaxation-times LBM models in predicting micro-gaseous flow in unconventional reservoirs.     

A multiscale DEM-LBM analysis on permeability evolutions inside a dilatant shear band

This paper presents a multiscale analysis of a dilatant shear band using a three-dimensional discrete element method and a lattice Boltzmann/finite element hybrid scheme. In particular, three-dimensional simple shear tests are conducted via the discrete element method. A spatial homogenization is performed to recover the macroscopic stress from the micro-mechanical force chains. The pore geometries of the shear band and host matrix are quantitatively evaluated through morphology analyses and lattice Boltzmann/finite element flow simulations. Results from the discrete element simulations imply that grain sliding and rotation occur predominately with the shear band. These granular motions lead to dilation of pore space inside the shear band and increases in local permeability. While considerable anisotropy in the contact fabric is observed with the shear band, anisotropy of the permeability is, at most, modest in the assemblies composed of spherical grains.     

颗粒沉降的格子Boltzmann模拟与PIV实验验证

在格子Boltzmann方法中引入大涡模拟,对球形颗粒在静水中沉降引起的紊动流场进行了数值模拟。数值模拟沉速与理论值以及粒子图像测速系统(PIV)实验结果吻合,验证了模型的合理性。同时分析比较了颗粒沉降过程中尾部紊动流场分布以及尾流流速值,发现数值模拟结果与实测结果趋势、数值基本一致,进一步说明了利用格子Boltzmann方法与大涡模拟技术相结合可以合理模拟泥沙颗粒在紊流区的沉降。     

Investigation on strength and stability of jointed rock mass using three‐dimensional numerical manifold method

This paper proposes a numerical model for jointed rock masses within the 3‐D numerical manifold method (NMM) framework equipped with a customized contact algorithm. The strength of rock sample containing a few sets of discontinuities is first investigated. The results of models with simple geometries are compared with the available analytical solutions to verify the developed computer code, whereas models with complex geometries are simulated to better understand the fundamental behavior and failure mechanism of jointed rock mass. Furthermore, the stability of jointed rock mass in an underground excavation is studied, where rock failure process is determined by the 3‐D NMM simulation. The simulation results provide valuable guidance on excavation process design and stabilization design in rock engineering practice. Copyright © 2012 John Wiley & Sons, Ltd.     

Mortar coupling and upscaling of pore-scale models

Pore-scale models are becoming increasingly useful as predictive tools for modeling flow and transport in porous media. These models can accurately represent the 3D pore-structure of real media. Currently first-principles modeling methods are being employed for obtaining qualitative and quantitative behavior. Generally, artificial, simple boundary conditions are imposed on a model that is used as a stand-alone tool for extracting macroscopic parameters. However, realistic boundary conditions, reflecting flow and transport in surrounding media, may be necessary for behavior that occurs over larger length scales or including pore-scale models in a multiscale setting. Here, pore-scale network models are coupled to adjacent media (additional pore-scale or continuum-scale models) using mortars. Mortars are 2D finite-element spaces employed to couple independent subdomains by enforcing continuity of pressure and flux at shared boundary interfaces. While mortars have been used in the past to couple subdomains of different models, physics, and meshes, they are extended here for the first time to pore-scale models. The approach is demonstrated by modeling single-phase flow in coupled pore-scale models, but the methodology can be utilized to model dynamic processes and perform multiscale modeling in 3D continuum simulators for flow and transport.     

格子Boltzmann方法地震波场模拟

格子Ｂｏｌｔｚｍａｎｎ方法是细胞自动机在某些学科中的具体化和应用。它根据微观运动过程的某些基本特征建立简化的、时间和空间完全离散的动力学模型，这种模型的平行行为符合宏观的微分方程。     

Simulation of debris flow on an instrumented test slope using an updated Lagrangian continuum particle method

We present an updated Lagrangian continuum particle method based on smoothed particle hydrodynamics (SPH) for simulating debris flow on an instrumented test slope. The site is a deforested area near the village of Ruedlingen, a community in the canton of Schaffhausen in Switzerland. Artificial rainfall experiments were conducted on the slope that led to failure of the sediment in the form of a debris flow. We develop a 3D mechanistic model for this test slope and conduct numerical simulations of the flow kinematics using an SPH formulation that captures large deformation, material nonlinearity, and the complex post-failure movement of the sediment. Two main simulations explore the impact of changes in the mechanical properties of the sediment on the ensuing kinematics of the flow. The first simulation models the sediment as a granular homogeneous material, while the second simulation models the sediment as a heterogeneous material with spatially varying cohesion. The variable cohesion is meant to represent the effects of root reinforcement from vegetation. By comparing the numerical solutions with the observed failure surfaces and final free-surface geometries of the debris deposit, as well as with the observed flow velocity, flow duration, and hot spots of strain concentration, we provide insights into the accuracy and robustness of the SPH framework for modeling debris flows.

     

用格子波耳兹曼方法模拟双重孔隙介质中的流体迁移

作者在本文中介绍了基于格子波耳兹曼模型的双重孔隙介质中流体运移的数值模拟计算方法。我们从格子波耳兹曼碰撞模型出发，利用格子波耳兹曼方程、Chapman-Enskog展开，以及多尺度技术，得到了描述双重孔隙介质中流体迁移的二维扩散方程。利用格子气自动机方法计算该扩散方程，实现了对双重孔隙介质中流体运移过程的数值模拟仿真。数值实验表明，我们所使用的方法正确、有效。     

A single-relaxation-time lattice Boltzmann model for anisotropic advection-diffusion equation based on the diffusion velocity flux formulation

In this paper, we describe a single-relaxation-time (SRT) lattice Boltzmann formulation, which can be effectively applied to anisotropic advection-dispersion equations (AADE). The formulation can be applied to space and time variable anisotropic hydrodynamic dispersion tensor. The approach utilizes diffusion velocity lattice Boltzmann formulation which in the case of AADE can represent anisotropic diagonal and off-diagonal elements of the dispersion matrix by the coupling of advective and diffusive fluxes in equilibrium function. With this approach, AADE can be applied to the SRT lattice Boltzmann formulation using the same equilibrium function and without any changes to collision step nor in the application of boundary conditions. The approach shows good stability even for highly anisotropic dispersion tensor and is tested on selected illustrative examples which demonstrate the accuracy and applicability of the proposed method.     

LBM–DEM modeling of fluid–solid interaction in porous media

Three porous media flow problems, in which the fluid mechanical interactions are critical, are studied in a mesoscopic–microscopic coupling system. In this system, fluid flow in the pore space is explicitly modeled at mesoscopic level by the lattice Boltzmann method, the geometrical representation and the mechanical behavior of the solid skeleton are modeled at microscopic level by the particulate distinct element method (DEM), and the interfacial interaction between the fluid and the solids is resolved by an immersed boundary scheme. In the first benchmark problem, the well‐known and frequently utilized Ergun equation is validated in periodic particle and periodic pore models. In the second problem, the upward seepage problem is simulated over three stages: The settlement of the column of sphere under gravity loading is measured to illustrate the accuracy of the DEM scheme; the system is solved to hydrostatic state with pore space filled with fluid, showing that the buoyancy effect is captured correctly in the mesoscopic–microscopic coupling system; then, the flow with constant rate is supplied at the bottom of the column; the swelling of the ground surface and pore pressure development from the numerical simulation are compared with the predictions of the macroscopic consolidation theory. In the third problem, the fluid‐flow‐induced collapse of a sand arch inside a perforation cavity is tested to illustrate a more practical application of the developed system. Through comparing simulation results with analytical solutions, empirical law and physical laboratory observations, it is demonstrated that the developed lattice Boltzmann–distinct element coupling system is a powerful fundamental research tool for investigating hydromechanical physics in porous media flow. Copyright © 2012 John Wiley & Sons, Ltd.