Determination of contact parameters for discrete element method simulations of granular systems

Both linear-spring-dashpot (LSD) and non-linear Hertzian-spring-dnshpot (HSD) contact models are commonly used for the calculation of contact forces in Discrete Element Method (DEM) simulations of granular systems.Despite the popularity of these models, determination of suitable values for the contact parameters of the simulated particles such as stiffness, damping coefficient, coefficient of restitution, and simulation time step,is not altogether obvious.In this work the relationships between these contact parameters for a model system where a particle impacts on a flat base are examined.Recommendations are made concerning the determination of these contact parameters for use in DEM simulations.     

Evaluation of link-track performances using DEM

A two-dimensional discrete-element model for the interaction between link-track and soil is presented. The model was developed using commercial PFC2D code. Two different particles, sphere and clump of two spheres, were used to represent the soil. The soil parameters of the model were determined using Hertzian contact theory. Based on the model and soil parameters, simulations of biaxial tests and calculations of the internal angle of friction and cohesion were preformed. The simulation results showed that the internal angle of friction should not exceed the value of 0.65 when using the spherical particles. Based on the clumped particles model, simulations of shear tests with two grouser plates (lengths 100 and 150 mm) were performed under different soil conditions, normal pressures, and cleat heights. A curve fitting of the simulation results was performed using three semi-empirical models from Bekker, Janosi, and Wong for representing the shear stress–displacement relationship. The best fitting was achieved using Wong’s approach. The simulation results of the cleat effects were compared with Bekker’s grouser approach and McKyes’s formulation for soil–blade interaction. In most of the cases, the results of Bekker’s model were the lower bound and McKyes’s model, the upper bound of the DEM simulation results. The properties of the soil model for the DEM were determined using simulation results of shear tests by grouser plate. In the range investigated, the size of the shearing grouser plate is not significant in determining the soil model properties.     

Modeling and computation of cavitation in vortical flow

The paper presents an investigation of Euler–Lagrangian methods for cavitating two-phase flows. The Euler–Euler methods, widely used for simulations of cavitating flows in ship technology, perform well in regions of moderate flow changes but fail in zones of strong, vortical flow. Reasons are the strong approximations of cavitation models in the Euler concept. Alternatively, Euler–Lagrangian concepts enable more detailed formulations for transport, dynamics and acoustic of discrete vapor bubbles. Test calculations are performed to study the influence of different parameters in the equations of motion and in the Rayleigh–Plesset equation for bubble dynamics. Results confirm that only Lagrangian models are able to describe correctly the bubble behavior in vortices, while Eulerian results deviate strongly. Lagrangian formulations enable additionally the determination of acoustic pressure of cavitation noise. Two-way coupling between the phases is required for large regions of the vapor phase. A new coupling concept between continuous fluid flow and discrete bubble phase is developed and demonstrated for flow through a nozzle. However, the iterative coupling between the phases via volume fractions is computationally expensive and should therefore be applied only in regions where Eulerian treatment fails. A corresponding local concept for combination with an Euler–Euler method is outlined and is in progress.     

Validation of a discrete element model using magnetic resonance measurements

The discrete element model （DEM） is a very promising modelling strategy for two-phase granular systems. However, owing to a lack of experimental measurements, validation of numerical simulations of two-phase granular systems is still an important issue. In this study, a small two-dimensional gas- fluidized bed was simulated using a discrete element model. The dimensions of the simulated bed were 44mm × 10mm × 120 mm and the fluidized particles had a diameter dp = 1.2 mm and density ρp = 1000 kg/m^3. The comparison between DEM simulations and experiments are performed on the basis of time-averaged voidage maps. The drag-law of Beetstra et al. [Beetstra, R., van der Hoef, M.A., ＆ Kuipers,J. A. M. （2007b）. Drag force of intermediate Reynolds number flow past mono- and bidispersed arrays of spheres. AIChE Journal, 53,489-501 ] seems to give the best results. The simulations are fairly insensitive to the coefficient of restitution and the coefficient of friction as long as some route of energy dissipation during particle-particle and particle-wall contact is provided. Changing the boundary condition of the gas phase at the side-walls from zero-slip to full-slip does not affect the simulation results. Care is to be taken that the cell sizes are chosen so that a reasonable number of particles can be found in a fluid cell.     

Implementation of rotational resistance models: A critical appraisal

Contact models that simulate rotational resistance at particle contacts have been proposed as a means to capture the effect of shape in DEM simulations. This contribution critically explores some key issues related to the implementation of rotational resistance models; these include the need for physically meaningful model parameters, the impact of the model on the overall numerical stability/critical time increment for the DEM model, model validation, and the assessment of model performance relative to real physical materials. The discussion is centred around a rotational resistance model that captures the resistance provided by interlocking asperities on the particle surface. An expression for the maximum permissible integration time step to ensure numerical stability is derived for DEM simulations when rotational resistance is incorporated. Analytical solutions for some single-contact scenarios are derived for model validation. The ability of this type of model to provide additional fundamental insight into granular material behaviour is demonstrated using particle-scale analysis of triaxial compression simulations to examine the roles that contact rolling and sliding have on the stability of strong force chains.     

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.     

Numerical modeling and investigation of viscoelastic fluid–structure interaction applying an implicit partitioned coupling algorithm

We investigate the interaction between a viscoelastic Oldroyd-B fluid and an elastic structure via simulations applying an implicit partitioned coupling algorithm. Simulations are done for a flow through a channel with a flexible wall and a lid-driven cavity flow with flexible bottom. In addition, we make use of a mass–spring–dashpot prototype model to study the dynamic interaction problem. Both the simulation results and the analysis of the prototype model show that there are obvious differences in the fluid–structure interaction if the fluids are viscoelastic instead of purely viscous. These differences appear in the deformation of the solid at stationary state and in the equilibrium position, amplitude, frequency as well as phase shift of the oscillation. Moreover, we investigate the influence of numerical and physical parameters on the implicit partitioned coupling algorithm for simulation of viscoelastic fluid–structure interaction problems.     

Constitutive relations for the shear band evolution in granular matter under large strain

A so-called ＂split-bottom ring shear cell＂ leads to wide shear bands under slow, quasi-static deformation. Unlike normal cylindrical Couette shear cells or rheometers, the bottom plate is split such that the outer part of it can move with the outer wall, while the other part （inner disk） is immobile. From discrete element simulations （DEM）, several continuum fields like the density, velocity, deformation gradient and stress are computed and evaluated with the goal to formulate objective constitutive relations for the powder flow behavior. From a single simulation, by applying time- and （local） space-averaging, a non-linear yield surface is obtained with peculiar stress dependence. The anisotropy is always smaller than the macroscopic friction coefficient. However, the lower bound of anisotropy increases with the strain rate, approaching the maximum according to a stretched exponential with a specific rate that is consistent with a shear path of about one particle diameter.     

A Numerical Study of Micro-Heterogeneity Effects on Upscaled Properties of Two-Phase Flow in Porous Media

Commonly, capillary pressure–saturation–relative permeability (P ^c–S–K _r) relationships are obtained by means of laboratory experiments carried out on soil samples that are up to 10–12 cm long. In obtaining these relationships, it is implicitly assumed that the soil sample is homogeneous. However, it is well known that even at such scales, some micro-heterogeneities may exist. These heterogeneous regions will have distinct multiphase flow properties and will affect saturation and distribution of wetting and non-wetting phases within the soil sample. This, in turn, may affect the measured two-phase flow relationships. In the present work, numerical simulations have been carried out to investigate how the variations in nature, amount, and distribution of sub-sample scale heterogeneities affect P ^c–S–K _r relationships for dense non-aqueous phase liquid (DNAPL) and water flow. Fourteen combinations of sand types and heterogeneous patterns have been defined. These include binary combinations of coarse sand imbedded in fine sand and vice versa. The domains size is chosen so that it represents typical laboratory samples used in the measurements of P ^c–S–K _r curves. Upscaled drainage and imbibition P ^c–S–K _r relationships for various heterogeneity patterns have been obtained and compared in order to determine the relative significance of the heterogeneity patterns. Our results show that for micro-heterogeneities of the type shown here, the upscaled P ^c–S curve mainly follows the corresponding curve for the background sand. Only irreducible water saturation (in drainage) and residual DNAPL saturation (in imbibition) are affected by the presence and intensity of heterogeneities.     

A model for film-forming with Newtonian and shear-thinning fluids

The formation of a thin film by (i) the slow penetration of a gas bubble into a liquid filled tube, (ii) the withdrawal of a planar substrate from a liquid filled gap, is investigated theoretically for the cases of both Newtonian and shear-thinning liquids; the latter conforming to either a power–law or Ellis model. Formulated as a boundary value problem underpinned by lubrication theory, the analysis gives rise to a system of ordinary differential equations which are solved numerically subject to appropriate boundary conditions. For Newtonian liquids comparison of the predicted residual film thickness for a wide range of capillary number, Ca  (10⁻⁴, 10), is made with others obtained using existing expressions, including the classical one of Bretherton, in the region of parameter space over which they apply. In the case of (i), prediction of the behaviour of the residual fluid fraction and gap-to-film thickness ratio, for a Newtonian liquid and one that is shear-thinning and modelled via a power–law, is found to be in particularly good agreement with experimental data for Ca < 0.2. For (ii), both shear-thinning models are utilized and contour plots of residual film thickness generated as a function of Ca and the defining parameters characteristic of each model.     

多体系统碰撞动力学中接触力模型的研究进展

接触碰撞行为作为大自然与多体系统中的常见现象,其接触力模型对于多体系统的碰撞行为机理研究与性能预测至关重要.静态弹塑性接触模型与考虑能量耗散的连续接触力模型是研究接触碰撞行为的两类不同方法,在多体系统碰撞动力学中存在诸多共性与差异.本文分别从上述两类接触模型的发展历程入手,详细介绍了两类模型的区别与联系.首先,根据阻尼项分母中是否含有初始碰撞速度将连续接触力模型分为黏性接触力模型与迟滞接触力模型,讨论了能量指数与Hertz接触刚度之间的关系,阐述了现有连续接触力模型在计算弹塑性材料接触碰撞行为时存在的问题.其次,着重介绍了分段连续的准静态弹塑性接触力模型(可连续从完全弹性转换到完全塑性接触阶段),分析了利用此类弹塑性接触力模型计算碰撞行为的技术特点.同时,以恢复系数为桥梁和借助线性化的弹塑性接触刚度,避免了Hertz刚度对弹塑性接触刚度的计算误差,根据碰撞前后多体系统的能量与动能守恒推导了弹塑性接触模型等效的迟滞阻尼因子.探索了连续接触力模型与准静态弹塑性接触力模型之间的内在联系,数值计算结果定量说明了人为阻尼项代表的能量耗散与弹塑性接触力模型中加卸载路径代表的能量耗散具有等效性.另外...     

Algorithms for a Vehicle Dynamics Monitoring System,Based on Model Reference Structure

Vehicle control depends heavily on the knowledge of the vehicle operatingconditions. One of the most important parameters for its control is thetyre–road friction coefficient (µ). An appropriate way toestimate the vehicle operating conditions is the Model Reference Approach.This technique requires a model that provides estimated states which can becompared with the measured states, the difference is used to determine thereal operating conditions. This paper presents two different applications ofthe Model Reference Techniques to estimate tyre–road frictioncoefficient; these are based on the relation between tyre forces and slip,and on the vehicle lateral behaviour using an extended Kalman filter.Experimental data from the test vehicle confirms the good results obtainedin the friction estimation based on the tyre slip–force relation. Theestimation using an extended Kalman filter on lateral behaviour showsaccurate tracking. The next step to be taken is to integrate all thealgorithms in the test vehicle and to validate them for a wide range ofoperating conditions, in order to have reliable information for the activesystem control.     

Numerical simulation and experimental validation of gas–solid flow in the riser of a dense fluidized bed reactor

Gas–solid flow in the riser of a dense fluidized bed using Geldart B particles (sand), at high gas velocity (7.6–15.5 m/s) and with comparatively high solid flux (140–333.8 kg/m² s), was investigated experimentally and simulated by computational fluid dynamics (CFD), both two- and three-dimensional and using the Gidaspow, O’Brien-Syamlal, Koch-Hill-Ladd and EMMS drag models. The results predicted by EMMS drag model showed the best agreement with experimental results. Calculated axial solids hold-up profiles, in particular, are well consistent with experimental data. The flow structure in the riser was well represented by the CFD results, which also indicated the cause of cluster formation. Complex hydrodynamical behaviors of particle cluster were observed. The relative motion between gas and solid phases and axial heterogeneity in the three subzones of the riser were also investigated, and were found to be consistent with predicted flow structure. The model could well depict the difference between the two exit configurations used, viz., semi-bend smooth exit and T-shaped abrupt exit. The numerical results indicate that the proposed EMMS method gives better agreement with the experimental results as compared with the Gidaspow, O’Brien-Syamlal, Koch-Hill-Ladd models. As a result, the proposed drag force model can be used as an efficient approach for the dense gas–solid two-phase flow.     

Inverse Estimation of Cohesive Fracture Properties of Asphalt Mixtures Using an Optimization Approach

Tensile cracking in asphalt pavements due to vehicular and thermal loads has become an experimental and numerical research focus in the asphalt materials community. Previous studies have used the discrete element method (DEM) to study asphalt concrete fracture. These studies used trial-and-error to obtain local fracture properties such that the DEM models approximate the experimental load-crack mouth opening displacement response. In the current study, we identify the cohesive fracture properties of asphalt mixtures via a nonlinear optimization method. The method encompasses a comparative investigation of displacement fields obtained using both digital image correlation (DIC) and heterogeneous DEM fracture simulations. The proposed method is applied to two standard fracture test geometries: the single-edge notched beam test, SE(B), under three-point bending, and the disk-shaped compact tension test, DC(T). For each test, the Subset Splitting DIC algorithm is used to determine the displacement field in a predefined region near the notch tip. Then, a given number of DEM simulations are performed on the same specimen. The DEM is used to simulate the fracture of asphalt concrete with a linear softening cohesive contact model, where fracture-related properties (e.g., maximum tensile force and maximum crack opening) are varied within a predefined range. The difference between DIC and DEM displacement fields for each set of fracture parameters is then computed and converted to a continuous function via multivariate Lagrange interpolation. Finally, we use a Newton-like optimization technique to minimize Lagrange multinomials, yielding a set of fracture parameters that minimizes the difference between the DEM and DIC displacement fields. The optimized set of fracture parameters from this nonlinear optimization procedure led to DEM results which are consistent with the experimental results for both SE(B) and DC(T) geometries.     

The comparison of two approaches to numerical modelling of gas-particles turbulent flow and heat transfer in a pipe

The comparison of two theoretical approaches for the numerical investigation of turbulent gas–solid flows with heat transfer in a pipe are presented in this paper. The first approach is based on Eulerian–Eulerian modelling of investigated phenomena, the second one is formulated within the framework of the Eulerian–Lagrangian approach. The verification of numerical models under consideration. Their testing against available experimental data show good prognostic properties of the elaborated theoretical tool for research activities to study new physical fundamentals of turbulent gas-suspended particles flows in pipes and channels.     

A coupled sliding and rolling friction model for DEM calibration

The accuracy of dense Discrete Element Method (DEM) simulations is sensitive to initial density, contact orientation, particle size and shape, and interparticle interaction parameters including contact stiffness, cohesion, coefficients of friction, and coefficients of restitution. Although studies have characterized the effects of individual particle interaction parameters on mechanical responses of loaded granular material, research combining DEM parameters for calibration is scarce. Robust DEM calibration methodology combining sliding and rolling friction coefficients was developed and validated to predict bulk residual soil strength of initially dense DEM particle assemblies.     

Hydrodynamical Modeling of Charge Carrier Transport in Semiconductors

Enhanced functional integration in modern electron devices requires an accurate modeling of energy transport in semiconductors in order to describe high-field phenomena such as hot electron propagation, impact ionization and heat generation in the bulk material. The standard drift-diffusion models cannot cope with high-field phenomena because they do not comprise energy as a dynamical variable. Furthermore for many applications in optoelectronics one needs to describe the transient interaction of electromagnetic radiation with carriers in complex semiconductor materials and since the characteristic times are of order of the electron momentum or energy flux relaxation times, some higher moments of the distribution function must be necessarily involved. Therefore these phenomena cannot be described within the framework of the drift-diffusion equations (which are valid only in the quasi-stationary limit). Therefore generalizations of the drift-diffusion equations have been sought which would incorporate energy as a dynamical variable and also would not be restricted to quasi-stationary situations. These models are loosely speaking called hydrodynamical models. One of the earliest hydrodynamical models currently used in applications was originally put forward by Blotekjaer [1] and subsequently investigated by Baccarani and Wordeman [2] and by other authors [3]. Eventually other models have also been investigated, some including also non-parabolic effects [4–6, 8–20]. Most of the implemented hydrodynamical models suffer from serious theoretical drawbacks due to the ad hoc treatment of the closure problem (lacking a physically convincing motivation) and the modeling of the production terms (usually assumed to be of the relaxation type and this, as we shall see, leads to serious inconsistencies with the Onsager reciprocity relations). In these lectures we present a general overview of the theory underlying hydrodynamical models. In particular we investigate in depth both the closure problem and the modeling of the production terms and present a recently introduced approach based on the maximum entropy principle (physically set in the framework of extended thermodynamics [21, 22]). The considerations and the results reported in the paper are exclusively concerned with silicon.     

Forces acting on water droplets falling in oil under the influence of an electric field: numerical predictions versus experimental observations

The combination of an electric field and a moderate turbulent flow is a promising technique for separating stable water–oil emulsions. Field-induced charges on the water droplets will cause adjacent droplets to align with the field and attract each other. The present work describes the forces that influence the kinematics of droplets falling in oil when exposed to an electric field. Mathematical models for these forces are presented and discussed with respect to a possible implementation in a multi-droplet Lagrangian framework. The droplet motion is mainly due to buoyancy, drag, film-drainage, and dipole–dipole forces. Attention is paid to internal circulations, non-ideal dipoles, and the effects of surface tension gradients.Experiments are performed to observe the behavior of a droplet falling onto a stationary one. The droplet is exposed to an electric field parallel to the direction of the droplet motion. The behavior of two falling water droplets exposed to an electric field perpendicular to the direction of their motion is also investigated until droplet coalescence. The droplet motion is recorded with a high-speed CMOS camera. The optical observations are compared with the results from numerical simulations where the governing equations for the droplet motion are solved by the RK45 (Runge Kutta) Fehlberg method with step-size control and low tolerances. Results, using different models, are compared and discussed in detail. A framework is otlined to describe the kinematics of both a falling rigid spherical particle and a fluid droplet under the influence of an electric field.     

A New Model for the Dynamics of Dispersions in a Batch Reactor: Numerical Approach

In this paper, we develop some considerations concerning the structure of coalescence, breakage and volume scattering kernels appearing in the evolution equation related to a new model for the dynamics of liquid–liquid dispersions and show some numerical simulations. The mathematical model has been presented in [3, 4], where a proof of the existence and uniqueness for a classical solution to the integro–differential equation describing the physical phenomenon is provided as well as a complete analysis of the general characteristics of the integral kernels. Numerical simulations agree with experimental data and with the expected asymptotical behavior of the solution.