基于离散单元法和人工神经网络的近壁颗粒动力学特征研究

颗粒与壁面的相互作用往往对颗粒流动具有显著影响. 为研究颗粒与壁面作用机理, 对滚筒内颗粒流动过程进行离散单元法(DEM)数值模拟. 基于模拟结果统计分析靠近壁面处颗粒的运动特征, 结果表明, 小摩擦系数时颗粒平动和旋转速度均近似满足正态分布, 但由于壁面影响, 摩擦系数增大时颗粒沿滚筒轴向的旋转速度偏离正态分布, 颗粒动力学理论推导壁面边界条件时应考虑速度正态分布的修正及速度脉动的各向异性. 采用人工神经网络(ANN)构建了颗粒无因次旋转温度、滑移速度和平动温度之间的函数模型, 进而可以在常规双流模型壁面边界条件中考虑颗粒旋转的影响. 基于DEM模拟及结果分析可以为壁面边界条件的理论构造和半经验修正提供基础数据和封闭模型.      

DISCRETE AND CONTINUUM MODELLING OF GRANULAR FLOW

This paper analyses three popular methods simulating granular flow at different time and length scales： discrete element method （DEM）, averaging method and viscous, elastic-plastic continuum model. The theoretical models of these methods and their applications to hopper flows are discussed. It is shown that DEM is an effective method to study the fundamentals of granular flow at a particle or microscopic scale. By use of the continuum approach, granular flow can also be described at a continuum or macroscopic scale. Macroscopic quantities such as velocity and stress can be obtained by use of such computational method as FEM. However, this approach depends on the constitutive relationship of materials and ignores the effect of microscopic structure of granular flow. The combined approach of DEM and averaging method can overcome this problem. The approach takes into account the discrete nature of granular materials and does not require any global assumption and thus allows a better understanding of the fundamental mechanisms of granular flow. However, it is difficult to adapt this approach to process modelling because of the limited number of particles which can be handled with the present computational capacity, and the difficulty in handling non-spherical particles. Further work is needed to develoo an aoorooriate aooroach to overcome these problems.     

Three-dimensional discrete element models for the granular statics and dynamics of powders in cavity filling

Rapid granular flow from a moving container and angle of repose formation were investigated by numerical simulations using the discrete element method (DEM) and experiments. Grain models of various geometrical complexity were studied and their ability to reproduce the experiments in those regimes was explored. The predictive power of the most realistic model for gravity driven cavity filling was assessed. Good agreement between computed and measured density distributions within the filled cavities provides a basis for numerical process variations aiming at homogenized density distributions. The effect of numerical coarse graining was found to be negligible for all properties of interest provided that force laws are scaled properly and corrections for boundary effects are taken into account. The proposed scaling was tested for a certain set of force laws but could be applied to different DEM forces as well. An analytic mass flow law for powder discharge from a moving container was derived and verified by our DEM simulations.     

GPU accelerated MFiX-DEM simulations of granular and multiphase flows

In this research, a Graphical Processing Unit (GPU) accelerated Discrete Element Method (DEM) code was developed and coupled with the Computational Fluid Dynamic (CFD) software MFiX to simulate granular and multiphase flows with heat transfers and chemical reactions. The Fortran-based CFD solver was coupled with the CUDA/C++ based DEM solver through inter-process pipes. The speedup to the CPU version of MFiX-DEM is about 130–243 folds in the simulation of particle packings. In fluidized bed simulations, the DEM computation time is reduced from 91% to 17% with a speedup of 78 folds. The simulation of Geldart A particle fluidization revealed a similar level of importance of both fluid and particle coarse-graining. The filtered drag derived from the two-fluid model is suitable for Euler-Lagrangian simulations with both fluid and particle coarse-graining. It overcorrects the influence of sub-grid structures if used for simulations with only fluid coarse-graining.     

An erosion model for the discrete element method

A shear impact energy model (SIEM) of erosion suitable for both dilute and dense particle flows is proposed based on the shear impact energy of particles in discrete element method (DEM) simulations. A number of DEM simulations are performed to determine the relationship between the shear impact energy predicted by the DEM model and the theoretical erosion energy. Simulation results show that nearly one-quarter of the shear impact energy will be converted to erosion during an impingement. According to the ratio of the shear impact energy to the erosion energy, it is feasible to predict erosion from the shear impact energy, which can be accumulated at each time step for each impingement during the DEM simulation. The total erosion of the target surface can be obtained by summing the volume of material removed from each impingement. The proposed erosion model is validated against experiment and results show that the SIEM combined with DEM accurately predicts abrasive erosions.     

颗粒流动力学及其离散模型评述

颗粒流是由众多颗粒组成的具有内在相互作用的非经典介质流动. 自然界常见颗粒流都是密集流, 颗粒间接触形成力链, 诸多力链相互交接构成支撑整个颗粒流重量和外载荷的网络, 其局部构型及强度在外载荷下演化, 是颗粒流摩擦特性和接触应力的来源.本文介绍球形颗粒间无粘连作用时的Hertz法向接触理论和Mindlin-Deresiewicz切向接触理论. Campbell依据是否生成较为稳定的力链把颗粒流分为弹性流和惯性流两大类, 其中弹性-准静态流和惯性-碰撞流分别对应准静态流和快速流, 作为两种极端流动情况通常处理成连续体, 分别采用摩擦塑性模型和动理论予以描述, 但是表征接触力链的颗粒弹性参数并不出现这两个模型和理论框架中, 如何进一步考虑颗粒弹性参数将非常困难. 目前离散动力学方法逐渐成为复现其复杂颗粒流动现象、提取实验不可能获得的内部流动信息进而综合起来探索颗粒流问题的一种有效工具, 其真实性强于连续介质理论的描述. 软球模型对颗粒间接触力简化处理, 忽略了切向接触力对法向接触力及其加载历史的依赖, 带来了法向和切向刚度系数如何标度等更艰难的物理问题, 但由于计算强度小而广泛应用于工程问题中. 硬球模型不考虑颗粒接触变形, 因而不能描述颗粒流内在接触应变等物理机理, 仅适用于快速颗粒流, 这不仅仅是由于两体碰撞的限制. 因此基于颗粒接触力学的离散颗粒动力学模型是崭新的模型,适用于准静态流到快速流整个颗粒流态的模拟, 可以细致考虑接触形变及接触力的细节,建立更为合理的颗粒流本构关系, 进而有力的促进颗粒流这一非经典介质流动的研究.      

Diffusion-based coarse graining in hybrid continuum–discrete solvers: Theoretical formulation and a priori tests

Coarse graining is an important ingredient in many multi-scale continuum–discrete solvers such as CFD–DEM (computational fluid dynamics–discrete element method) solvers for dense particle-laden flows. Although CFD–DEM solvers have become a mature technique that is widely used in multiphase flow research and industrial flow simulations, a flexible and easy-to-implement coarse graining algorithm that can work with CFD solvers of arbitrary meshes is still lacking. In this work, we proposed a new coarse graining algorithm for continuum–discrete solvers for dense particle-laden flows based on solving a transient diffusion equation. Via theoretical analysis we demonstrated that the proposed method is equivalent to the statistical kernel method with a Gaussian kernel, but the current method is much more straightforward to implement in CFD–DEM solvers. A priori numerical tests were performed to obtain the solid volume fraction fields based on given particle distributions, the results obtained by using the proposed algorithm were compared with those from other coarse graining methods in the literature (e.g., the particle centroid method, the divided particle volume method, and the two-grid formulation). The numerical tests demonstrated that the proposed coarse graining procedure based on solving diffusion equations is theoretically sound, easy to implement and parallelize in general CFD solvers, and has improved mesh-convergence characteristics compared with existing coarse graining methods. The diffusion-based coarse graining method has been implemented into a CFD–DEM solver, the results of which are presented in a separate work.     

Modeling of high-density compaction of granular materials by the Discrete Element Method

Cold compaction of metal powders is now commonly studied at a microscopic scale, to further our understanding of contact mechanics between grains. The Discrete Element Method (DEM) is therefore, a good compromise between calculation time and precision. DEM simulations are in general limited to a relative density of about 0.8, because the existing contact laws do not reproduce all the physical phenomena involved in the densification of granular media. Local contact mechanics can be studied by finite element analyses on meshed distinct elements (MDEM, Meshed Distinct Element Method). However, this method is too time-consuming when in the presence of a large number of grains. In the following work, a new analytical contact law will be formulated with MDEM which will subsequently be used to validate the DEM model. Thus, it will be possible with DEM modeling to reproduce high-density compaction of random packings up to a relative density of about 0.95. By introducing a local relative density parameter in the force–displacement relationship, the incompressibility effects which rule high-density behaviors can be introduced in the modeling of powder compaction.     

大规模颗粒系统的精确缩尺和粗粒化离散元方法

计算效率是制约工程尺度大规模颗粒系统离散元计算发展的重要因素,现有的粗粒化处理方法局限于特定应用并且缺少一般的理论依据。本文采用量纲分析方法,描述了在精确缩尺系统中各物理量应当满足的缩放定律;通过在粗粒化系统和原始系统的代表性体积单元之间建立质量、动量和能量的近似守恒关系,采用多尺度的描述方法得到了粗粒化系统与原始系统之间宏观和细观两种不同尺度的缩放关系,即双尺度粗粒化模型;精确缩尺系统中得到的缩放定律及离散元接触模型处理方法,完全适用于粗粒化系统中细观颗粒层面相关物理量的缩放,通过筒仓侧壁压力和休止角两个算例对精确缩尺模型在粗粒化系统中的有效性进行了验证。     

颗粒柱塌落中的尺寸效应和瞬态流变性研究

颗粒材料是自然界和工程中广泛存在和普遍应用的材料,泥石流、滑坡和混凝土等均可视为颗粒材料。颗粒材料研究有助于更好地控制相关自然灾害或利用其某些特性。对颗粒材料柱体的塌落动力学研究不仅可以方便理解颗粒材料在瞬态流动时的流变性,还可以引申到泥石流等岩土材料的运动与堆积形态。本文利用扩展多面体离散单元法对颗粒堆积柱的塌落进行了细致的研究,探索高宽比、摩擦系数以及颗粒柱相对尺寸等对柱体塌落的影响。对颗粒集合进行分网并分析每个网格内的应力与应变率之间的关系,讨论其瞬态本构关系。相关研究对于深入理解颗粒材料重力流的动力学性质以及颗粒集合体的堆积形态具有重要意义。     

Segregation of particulate solids: Experiments and DEM simulations

Segregation of granular materials is a complex phenomenon, difficult to measure quantitatively and to predict. Discrete element method (DEM) can be a useful tool to predict segregation effects and to support the industrial design. In this context, a very challenging idea is the characterization of the granular solids to provide the key parameters needed for a successful DEM simulation of segregation processes. Rolling friction, sliding friction and the coefficient of restitution are the critical parameters to be studied. These microscopic simulation parameters are calibrated by comparing the macroscopic behavior of granular matter in standard bulk experiments, which have the advantage of being highly repeatable and reliable.An experimental method is presented to characterize free surface segregation. The effects of different particle properties, particularly, shape and size, on segregation of cohesionless materials were investigated. From the experiments, particle size demonstrated a stronger effect on segregation than particle shape. Finally, the corresponding DEM simulations of the segregation experiments were presented. The parameters obtained by calibration were validated by the comparison of the modeled segregation behavior with the experimental results. Thus, calibrated DEM simulations are capable of predicting segregation effects.     

Effective simulation of flexible lateral boundaries in two- and three-dimensional DEM simulations

Discrete element method （DEM） models to simulate laboratory element tests play an important role in advancing our understanding of the mechanics of granular material response, including bonded or cemented, particulate materials. Comparisons of the macro-scale response observed in a real physical test and a ＂virtual＂ DEM-simulated test can calibrate or validate DEM models. The detailed, particle scale information provided in the DEM simulation can then be used to develop our understanding of the material behaviour. It is important to accurately model the physical test boundary conditions in these DEM simulations. This paper specifically considers triaxial tests as these tests are commonly used in soil mechanics. In a triaxial test, the test specimen of granular material is enclosed within a flexible latex membrane that allows the material to deform freely during testing, while maintaining a specified stress condition. Triaxial tests can only be realistically simulated in 3D DEM codes, however analogue, 2D, biaxial DEM simulations are also often considered as it is easier to visualize particle interactions in two dimensions. This paper describes algorithms to simulate the lateral boundary conditions imposed by the latex membrane used in physical triaxial tests in both 2D and 3D DEM simulations. The importance of carefully considering the lateral boundary conditions in DEM simulations is illustrated by considering a 2D biaxial test on a specimen of frictional unbonded disks and a 3D triaxial test on a bonded （cemented） specimen of spheres. The comparisons indicate that the lateral boundary conditions have a more significant influence on the local, particle-scale response in comparison with the overall macro-scale observations.     

Segregation of particulate solids＂ Experiments and DEM simulations

Segregation of granular materials is a complex phenomenon, difficult to measure quantitatively and to predict. Discrete element method （DEM） can be a useful tool to predict segregation effects and to support the industrial design. In this context, a very challenging idea is the characterization of the granular solids to provide the key parameters needed for a successful DEM simulation of segregation processes. Rolling friction, sliding friction and the coefficient of restitution are the critical parameters to be studied. These microscopic simulation parameters are calibrated by comparing the macroscopic behavior of granular matter in standard bulk experiments, which have the advantage of being highly repeatable and reliable. An experimental method is presented to characterize free surface segregation. The effects of different particle properties, particularly, shape and size, on segregation of cohesionless materials were investi- gated. From the experiments, particle size demonstrated a stronger effect on segregation than particle shape. Finally, the corresponding DEM simulations of the segregation experiments were presented. The parameters obtained by calibration were validated by the comparison of the modeled segregation behav- ior with the experimental results. Thus, calibrated DEM simulations are capable of predicting segregation effects.     

Effective simulation of flexible lateral boundaries in two-and three-dimensional DEM simulations

Discrete element method (DEM) models to simulate laboratory element tests play an important role in advancing our understanding of the mechanics of granular material response, including bonded or cemented, particulate materials.Comparisons of the macro-scale response observed in a real physical test and a "virtual" DEM-simulated test can calibrate or validate DEM models.The detailed, particle scale information provided in the DEM simulation can then be used to develop our understanding of the material behaviour.It is important to accurately model the physical test boundary conditions in these DEM simulations.This paper specifically considers triaxial tests as these tests are commonly used in soil mechanics.In a triaxial test,the test specimen of granular material is enclosed within a flexible latex membrane that allows the material to deform freely during testing, while maintaining a specified stress condition. Triaxial tests can only be realistically simulated in 3D DEM codes, however analogue,2D, biaxial DEM simulations are also often considered as it is easier to visualize particle interactions in two dimensions. This paper describes algorithms to simulate the lateral boundary conditions imposed by the latex membrane used in physical triaxial tests in both 2D and 3D DEM simulations.The importance of carefully considering the lateral boundary conditions in DEM simulations is illustrated by considering a 2D biaxial test on a specimen of frictional unbonded disks and a 3D triaxial test on a bonded (cemented) specimen of spheres. The comparisons indicate that the lateral boundary conditions have a more significant influence on the local,particle-scale response in comparison with the overall macro-scale observations.     

Predicting transport by Lagrangian coherent structures with a high-order method

Recent developments in identifying Lagrangian coherent structures from finite-time velocity data have provided a theoretical basis for understanding chaotic transport in general flows with aperiodic dependence on time. As these theoretical developments are extended and applied to more complex flows, an accurate and general numerical method for computing these structures is needed to exploit these ideas for engineering applications. We present an unstructured high-order hp/spectral-element method for solving the two-dimensional compressible form of the Navier–Stokes equations. A corresponding high-order particle tracking method is also developed for extracting the Lagrangian coherent structures from the numerically computed velocity fields. Two different techniques are used; the first computes the direct Lyapunov exponent from an unstructured initial particle distribution, providing easier resolution of structures located close to physical boundaries, whereas the second advects a small material line initialized close to a Lagrangian saddle point to delineate these structures. We demonstrate our algorithm on simulations of a bluff-body flow at a Reynolds number of Re = 150 and a Mach number of M = 0.2 with and without flow forcing. We show that, in the unforced flow, periodic vortex shedding is predicted by our numerical simulations that is in stark contrast to the aperiodic flow field in the case with forcing. An analysis of the Lagrangian structures reveals a transport barrier that inhibits cross-wake transport in the unforced flow. The transport barrier is broken with forcing, producing enhanced transport properties by chaotic advection and consequently improved mixing of advected scalars within the wake.     

A study of influence of gravity on bulk behavior of particulate solid

This paper examines the influence of gravity on the bulk responses of a granular solid. The loading scenarios in this study include confined compression, rod penetration into a granular medium and discharging through an orifice. Similar loading and flow conditions are likely to be encountered in the stress and deformation regimes that regoliths are subjected to in extraterrestrial exploration activities including in situ resource utilisation processes. Both spherical and non-spherical particles were studied using the discrete element method (DEM). Whilst DEM is increasingly used to model granular solids, careful validations of the simulation outcomes are rather rare. Thus in addition to exploring the effect of gravity, this paper also compares DEM simulations with experiments under terrestrial condition to verify whether DEM can produce satisfactory predictions.The terrestrial experiments were conducted with great care and simulated closely using DEM. The key mechanical and geometrical properties for the particles were measured in laboratory tests for use in the DEM simulations. A series of DEM computations were then performed under reduced gravity to simulate these experiments under extraterrestrial environment. It was found that gravity has no noticeable effect on the force transmission in the confined compression case; the loading gradient in the rod penetration is linearly proportional to the gravity; the mass flow rate in silo discharge is proportional to square root of the gravity and the angle of repose increases with reducing gravity. These findings are in agreement with expectation and existing scientific evidence.     

A study of influence of gravity on bulk behaviour of particulate solid

This paper examines the influence of gravity on the bulk responses of a granular solid. The loading scenarios in this study include confined compression, rod penetration into a granular medium and discharging through an orifice. Similar loading and flow conditions are likely to be encountered in the stress and deformation regimes that regoliths are subjected to in extraterrestrial exploration activities including in situ resource utilisation processes. Both spherical and non-spherical particles were studied using the discrete element method （DEM）. Whilst DEM is increasingly used to model granular solids, careful validations of the simulation outcomes are rather rare. Thus in addition to exploring the effect of gravity, this paper also compares DEM simulations with experiments under terrestrial condition to verify whether DEM can produce satisfactory predictions. The terrestrial experiments were conducted with great care and simulated closely using DEM. The key mechanical and geometrical properties for the particles were measured in laboratory tests for use in the DEM simulations. A series of DEM computations were then performed under reduced gravity to simulate these experiments under extraterrestrial environment. It was found that gravity has no noticeable effect on the force transmission in the confined compression case; the loading gradient in the rod penetration is linearly proportional to the gravity; the mass flow rate in silo discharge is proportional to square root of the gravity and the angle of repose increases with reducing gravity. These findings are in agreement with expectation and existing scientific evidence.     

Assessing continuum postulates in simulations of granular flow

Continuum mechanics relies on the fundamental notion of a mesoscopic volume “element” in which properties averaged over discrete particles obey deterministic relationships. Recent work on granular materials suggests that a continuum law may be inapplicable, revealing inhomogeneities at the particle level, such as force chains and slow cage breaking. Here, we analyze large-scale three-dimensional discrete-element method (DEM) simulations of different granular flows and show that an approximate “granular element” defined at the scale of observed dynamical correlations (roughly three to five particle diameters) has a reasonable continuum interpretation. By viewing all the simulations as an ensemble of granular elements which deform and move with the flow, we can track material evolution at a local level. Our results confirm some of the hypotheses of classical plasticity theory while contradicting others and suggest a subtle physical picture of granular failure, combining liquid-like dependence on deformation rate and solid-like dependence on strain. Our computational methods and results can be used to guide the development of more realistic continuum models, based on observed local relationships between average variables.     

Nonlinear elasto-plastic model for dense granular flow

This work proposes a model for granular deformation that predicts the stress and velocity profiles in well-developed dense granular flows. Recent models for granular elasticity [Jiang, Y., Liu, M., 2003. Granular elasticity without the Coulomb condition. Phys. Rev. Lett. 91, 144301] and rate-sensitive fluid-like flow [Jop, P., Forterre, Y., Pouliquen, O., 2006. A constitutive law for dense granular flows. Nature 441, 727] are reformulated and combined into one universal elasto-plastic law, capable of predicting flowing regions and stagnant zones simultaneously in any arbitrary 3D flow geometry. The unification is performed by justifying and implementing a Kröner–Lee decomposition, with care taken to ensure certain continuum physical principles are necessarily upheld. The model is then numerically implemented in multiple geometries and results are compared to experiments and discrete simulations.