A micro-mechanical investigation of bifurcation in granular materials

In this paper, the notion of loss of sustainability of a mechanical state in a granular assembly is investigated. The vanishing of the second-order work, defined on the macroscopic scale from tensorial variables, is shown to play a fundamental role in detecting the occurrence of this type of bifurcation. Then a link is established between the macroscopic second-order work on the specimen scale and a discrete local expression that introduces microscopic variables defined on each contact scale. This relation opens up a micro-mechanical interpretation allowing one to examine which micro-structural features are responsible for the vanishing of the macroscopic second-order work. Finally, it is established that both geometrical and material micro-structural origins may combine to induce the occurrence of bifurcation on a specimen scale.     

Linking discrete particle simulation to continuum process modelling for granular matter: Theory and application

Two approaches are widely used to describe particle systems: the continuum approach at macroscopic scale and the discrete approach at particle scale. Each has its own advantages and disadvantages in the modelling of particle systems. It is of paramount significance to develop a theory to overcome the disadvantages of the two approaches. Averaging method to link the discrete to continuum approach is a potential technique to develop such a theory. This paper introduces an averaging method, including the theory and its application to the particle flow in a hopper and the particle-fluid flow in an ironmaking blast furnace.     

COMPUTATIONAL FLUID DYNAMICS FOR DENSE GAS-SOLID FLUIDIZED BEDS: A MULTI-SCALE MODELING STRATEGY

Dense gas-particle flows are encountered in a variety of industrially important processes for large scale production of fuels, fertilizers and base chemicals. The scale-up of these processes is often problematic and is related to the intrinsic complexities of these flows which are unfortunately not yet fully understood despite significant efforts made in both academic and industrial research laboratories. In dense gas-particle flows both (effective) fluid-particle and (dissipative) particle-particle interactions need to be accounted for because these phenomena to a large extent govern the prevailing flow phenomena, i.e. the formation and evolution of heterogeneous structures. These structures have significant impact on the quality of the gas-solid contact and as a direct consequence thereof strongly affect the performance of the process. Due to the inherent complexity of dense gas-particles flows, we have adopted a multi-scale modeling approach in which both fluid-particle and particle-particle interactions can be properly accounted for. The idea is essentially that fundamental models, taking into account the relevant details of fluid-particle (lattice Boltzmann model) and particle-particle (discrete particle model) interactions, are used to develop closure laws to feed continuum models which can be used to compute the flow structures on a much larger (industrial) scale. Our multi-scale approach (see Fig. 1 ) involves the lattice Boltzmann model, the discrete particle model, the continuum model based on the kinetic theory of granular flow,and the discrete bubble model. In this paper we give an overview of the multi-scale modeling strategy, accompanied by illustrative computational results for bubble formation. In addition, areas which need substantial further attention will be highlighted.     

Some micromechanical aspects of failure in granular materials based on second-order work

This paper discusses the notion of failure in a granular assembly by examining the key microstructural mechanisms which are most likely to trigger the nucleation and propagation of instabilities within a granular material. For this purpose, the key variable to predict the occurrence of failure, known as second-order work, is expressed from variables on the grain scale. The local behaviour incidents (where contacts may open or slide), compared to the global response of the assembly, are analysed by two approaches. First, numerical computations made by a discrete element model confirm the microscopic definition of the second-order work. Secondly, a micromechanical model, based on a homogenization procedure, relating the macroscopic behaviour to microscopic ingredients, namely contact planes, points to a close link between the occurrence of failure on the macroscopic scale as well as on the contact planes.     

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.     

Continuum-Based Shape Sensitivity Analysis for 2D Coupled Atomistic/Continuum Simulations Using Bridging Scale Decomposition

In this paper, we propose the first attempt to perform shape sensitivity analysis for two-dimensional coupled atomistic and continuum problems using bridging scale decomposition. Based on a continuum variational formulation of the bridging scale, the sensitivity expressions are derived in a continuum setting using both direct differentiation method and adjoint variable method. To overcome the issue of discontinuity in shape design due to the discrete nature of the molecular dynamics (MD) simulation, we define design velocity fields in a way that the shape of the MD region does not change. Another major challenge is that the discrete finite element (FE) mass matrix in bridging scale is not continuous with respect to shape design variables. To address this issue, we assume an evenly distributed mass density when evaluating the material derivative of the FE mass matrix. In order to support accuracy verification of sensitivity results using overall finite difference method, we use regular-shaped finite elements and only allow shape change in one direction in our example problems, so that design perturbations can be made to the discrete FE mass matrix. However, the sensitivity formulation is sufficiently general to support irregular-shaped finite elements and arbitrary design velocity fields. The sensitivity analysis results, verified using overall finite difference method, reveal the impact of macroscopic shape design changes on microscopic atomistic responses.     

Micromorphic modeling of granular dynamics

This paper provides micromorphic modeling of a granular material. Micromorphic modeling treats an individual particle as a microelement and the particle composition in a representative volume element as a macroelement. By specifying the volume of a macroelement, continuum volume-type quantities such as mass density, body force, body couple, kinetic energy density, internal energy density, specific heat supply, etc., are determined by taking the averages of their discrete counterparts in a macroelement. The discrete expressions for the divergence of surface-type quantities (fluxes) are obtained with the help of discrete–continuum analogy for the discrete balance equations. We demonstrate that the discrete formulation of stress tensor in the dynamic condition, which involves both contributions from body forces and relative particle accelerations in a macroelement, can be simply expressed in terms of contact forces and branch vectors. This study constructs complete discrete-type and continuum-type balance equations for a granular material in a macroelement and at a macroscopic point, using the discrete–continuum correspondence for these field quantities.     

A model for computational investigation of elasto-plastic normal and tangential contact considering adhesion effect

With the rapid development of Micro-Electro-Mechanical System (MEMS), we enter a field in which the surface effects have dominated many of the micro-scale phenomena, and the adhesive contact is one of the focuses. In this paper, a feasible model for finite element computation is presented via a macroscopic and microscopic combination approach, in which the adhesive forces are simulated by some non-linear spring elements considering the softening stage. Two basic problems concerning the adhesion effect were considered; through specific quantitative analysis, the results show a consistency with the current elastic continuum theories of adhesion and a brief investigation into the effects of adhesion on plastic deformation and tangential contact will be carried out as well. The project supported by the National Natural Science Foundation of China (10172050, 90205022) and Key Grant Project of Chinese MoE (0306)     

Fabric and connectivity as field descriptors for deformations in granular media

Granular materials involve microphysics across the various scales giving rise to distinct behaviours of geomaterials, such as steady states, plastic limit states, non-associativity of plastic and yield flow, as well as instability of homogeneous deformations through strain localization. Incorporating such micro-scale characteristics is one of the biggest challenges in the constitutive modelling of granular materials, especially when micro-variables may be interdependent. With this motivation, we use two micro-variables such as coordination number and fabric anisotropy computed from tessellation of the granular material to describe its state at the macroscopic level. In order to capture functional dependencies between micro-variables, the correlation between coordination number and fabric anisotropy limits is herein formulated at the particle level rather than on an average sense. This is the essence of the proposed work which investigates the evolutions of coordination number distribution (connectivity) and anisotropy (contact normal) distribution curves with deformation history and their inter-dependencies through discrete element modelling in two dimensions. These results enter as probability distribution functions into homogenization expressions during upscaling to a continuum constitutive model using tessellation as an abstract representation of the granular system. The end product is a micro-mechanically inspired continuum model with both coordination number and fabric anisotropy as underlying micro-variables incorporated into a plasticity flow rule. The derived plastic potential bears striking resemblance to cam–clay or stress–dilatancy-type yield surfaces used in soil mechanics.     

On higher order gradient continuum theories in 1-D nonlinear elasticity. Derivation from and comparison to the corresponding discrete models

Higher order gradient continuum theories have often been proposed as models for solids that exhibit localization of deformation (in the form of shear bands) at sufficiently high levels of strain. These models incorporate a length scale for the localized deformation zone and are either postulated or justified from micromechanical considerations. Of interest here is the consistent derivation of such models from a given microstructure and the subsequent comparison of the solution to a boundary value problem using both the exact microscopic model and the corresponding approximate higher order gradient macroscopic model.In the interest of simplicity the microscopic model is a discrete periodic nonlinear elastic structure. The corresponding macroscopic model derived from it is a continuum model involving higher order gradients in the displacements. Attention is focused on the simplest such model, namely the one whose energy density involves only the second order gradient of the displacement. The discrete to continuum comparisons are done for a boundary value problem involving two different types of macroscopic material behavior. In addition the issues of stability and imperfection sensitivity of the solutions are also investigated.     

Defect redistribution within a continuum grain boundary plasticity model

The mechanical response of polycrystalline metals is significantly affected by the behaviour of grain boundaries, in particular when these interfaces constitute a relatively large fraction of the material volume. One of the current challenges in the modelling of grain boundaries at a continuum (polycrystalline) scale is the incorporation of the many different interaction mechanisms between dislocations and grain boundaries, as identified from fine-scale experiments and simulations. In this paper, the objective is to develop a model that accounts for the redistribution of the defects along the grain boundary in the context of gradient crystal plasticity. The proposed model incorporates the nonlocal relaxation of the grain boundary net defect density. A numerical study on a bicrystal specimen in simple shear is carried out, showing that the spreading of the defect content has a clear influence on the macroscopic response, as well as on the microscopic fields. This work provides a basis that enables a more thorough analysis of the plasticity of polycrystalline metals at the continuum level, where the plasticity at grain boundaries matters.     

Adhesion and friction of an elastic half-space in contact with a slightly wavy rigid surface

The paper deals with the estimation of the pressure distribution, the shape of contact and the friction force at the interface of a flat soft elastic solid moving on a rigid half-space with a slightly wavy surface. In this case an unsymmetrical contact is considered and justified with the adhesion hysteresis. For soft solids as rubber and polymers the friction originates mainly from two different contributions: the internal friction due to the viscoelastic properties of the bulk and the adhesive processes at the interface of the two solids. In the paper the authors focus on the latter contribution to friction. It is known, indeed, that for soft solids, as rubber, the adhesion hysteresis is, at least qualitatively, related to friction: the larger the adhesion hysteresis the larger the friction. Several mechanisms may govern the adhesion hysteresis, such as the interdigitation process between the polymer chains, the local small-scale viscoelasticity or the local elastic instabilities. In the paper the authors propose a model to link, from the continuum mechanics point of view, the friction to the adhesion hysteresis. A simple one-length scale roughness model is considered having a sinusoidal profile. For partial contact conditions the detached zone is taken to be a mode I propagating crack. Due to the adhesion hysteresis, the crack is affected by two different values of the strain energy release rate at the advancing and receding edges respectively. As a result, an unsymmetrical contact and a friction force arise. Additionally, the stability of the equilibrium configurations is discussed and the adherence force for jumping out of contact and the critical load for snapping into full contact are estimated.     

Continuum limit for three-dimensional mass-spring networks and discrete Korn's inequality

In a bounded domain Ω⊂R³ we consider a discrete network of a large number of concentrated masses (particles) connected by elastic springs. We provide sufficient conditions on the geometry of the array of particles, under which the network admits a rigorous continuum limit. Our proof is based on the discrete Korn's inequality. Proof of this inequality is the key point of our consideration. In particular, we derive an explicit upper bound on the Korn's constant. For generic non-periodic arrays of particles we describe the continuum limit in terms of the local energy characteristic on the mesoscale (intermediate scale between the interparticle distances (small scale) and the domain sizes (large scale)), which represents local energy in the neighborhood of a point. For a periodic array of particles we compute coefficients in the limiting continuum problems in terms of the elastic constants of the springs.     

Behavior of a net of fibers linked by viscous interactions: theory and mechanical properties

This paper presents an investigation of the macroscopic mechanical behavior of highly concentrated fiber suspensions for which the mechanical behavior is governed by local fiber-fiber interactions.The problem is approached by considering the case of a net of rigid fibers of uniform length, linked by viscous point interactions of power-law type. Those interactions may result in local forces and moments located at the contacting point between two fibers, and respectively power-law functions of the local linear and angular velocity at this point.Assuming the existence of an elementary representative volume which size is small compared to the size of the whole structure, the fiber net is regarded as a periodic assembly of identical cells. Macroscopic equilibrium and constitutive equations of the equivalent continuum are then obtained by the discrete and periodic media homogenization method, based on the use of asymptotic expansions.Depending on the order of magnitude of local translational viscosities and rotational viscosities, three types of the equivalent continua are proved to be possible. One of them leads to an effective Cosserat medium, the other ones being usual Cauchy media. Lastly, formulations that enable an effective computation of constitutive equations are detailed. They show that the equivalent continuum behaves like an anisotropic power-law fluid.     

Discrete element modelling of pebble beds: With application to uniaxial compression tests of ceramic breeder pebble beds

In this paper, a discrete element simulation scheme for pebble beds in fusion blankets is presented. Each individual pebble is considered as one element obeying equilibrium conditions under contact forces. We study not only the rearrangement of particles but also the overall behaviour of an assembly under the action of macroscopic compressive stresses. Using random close packing as initial configurations, the discrete element simulation of the uniaxial compression test has been quantitatively compared to experiments. This method yields the distribution of the inter-particle contact forces. Moreover, the micro-macro relations have been investigated to relate the microscopic information, such as the maximum contact force and the coordination number inside the assembly, to the macroscopic stress variables.     

关于采用粗粒化提高颗粒材料多尺度模拟守恒特性的研究

连续体-颗粒耦合方法常用来描述连续-非连续颗粒行为或解决颗粒材料与其他可变形构件间相互作用问题。粗粒化coarse-graining (CG)是基于统计力学的均匀化方法,由离散的颗粒运动定义连续的宏观物理场。本文利用粗粒化(CG)推导有限元-离散元(FEM-DEM)表面和体积耦合的一般性表达式。对于表面耦合,CG可以将耦合力分布到颗粒-单元接触点以外的位置,如相邻的积分点;对于体积耦合,CG可以将颗粒尺度的运动均匀化到耦合单元上。由粗粒化推导出的耦合项仅包含一个参数,即粗粒化宽度,为均匀化后的宏观场定义了一个可调整的空间尺度。当粗粒化宽度为零时,表面和体积耦合表达式简化为常规局部耦合。本文通过弹性立方体冲击颗粒床和离散-连续介质间波传播两个数值算例,展示使用粗粒化方法提高耦合系统能量守恒的优势,并结合其他耦合参数(如体积耦合深度)讨论了粗粒化参数对数值稳定性和计算效率的影响。     

Predicting variability in the dynamic failure strength of brittle materials considering pre-existing flaws

We perform two-dimensional dynamic fracture simulations of a specimen in biaxial tension, incorporating various distributions of pre-existing microcracks. The simulations consider the spatial distribution of flaws while modeling the discrete failure processes of crack interactions and coalescence, and predict the macroscopic variability in failure strength. The model quantitatively predicts the effect (on the dynamic failure strength) of different shapes of the flaw size distribution function, the random spatial distribution of flaws, and the random local resistance to crack growth (i.e. strength) associated with each flaw. The effect of changing material volumes on the variability in failure strengths is also examined in relation to the flaw size distribution. The effect of loading rate on the variability in failure strengths is presented in a form that will enable improved constitutive modeling using non-local formulations at the continuum scale.     

基于偶应力模型的连续体结构拓扑优化设计

经典连续介质理论不包含材料尺度参数,因而基于经典理论的结构拓扑优化无法显现尺度效应.本文在偶应力理论的框架下,构造了四节点四边形离散偶应力单元,将传统的SIMP方法推广至偶应力介质.结果表明,在以结构的最大刚度为目标的设计中,偶应力介质的最优结果取决于宏观结构尺寸与材料微结构尺寸(或者特征长度)的比值,最优结果具有明显的尺度效应,具体为,二者比值较大将产生与传统理论相似的结构,而二者比值相当则产生独特的偶应力主导的结构.     

Equivalent properties of monolayer fabric from mesoscopic modelling strategies

A general and systematic approach for the development of mesostructurally-based continuum model of woven fabrics has been elaborated, relating the fabric behavior at the macroscopic continuum scale to the response and geometry of the fabric’s mesostructure (geometrical configuration of the weave and the yarn properties). Mesoscopic discrete models of dry fabric have been developed based on a discretization of the yarn geometry, accounting for the yarn–yarn interactions at the yarns crossing points. The yarns are modeled within a unit cell consisting of the repetitive fabric pattern as curved planar beams submitted to the reaction forces of the transverse yarns at discrete crossover points. Those reaction forces are expressed in semi-analytical form versus the yarn geometry and mechanical properties for general armour from beam theory. The equilibrium shape of the woven fabric is obtained by minimizing its total potential energy, accounting for the work of the reaction forces due to the transverse yarns. The absolute minimum of the structure’s total potential energy is achieved by a classical genetic algorithm. Simulation results show that plain weave presents a nonlinear response in the early deformation stage due to the crimp change, whereas twill shows a quasi linear response due to yarn extension being the dominant deformation mechanism. Plain weave fabric overall exhibits an orthotropic constitutive law, as biaxial simulations show. The transverse behavior of plain weave fabric is presently evaluated in terms of Poisson’s ratio, based on virtual simulations at the mesoscopic scale of analysis. Simulation results show that Poisson’s ratio first increases towards a maximum due to the rapid shrinkage of the sample in the transverse direction, and decreases thereafter when the crimp changes become limited by the reaction forces of the transverse yarns. The influence of the mechanical properties of both warp and weft on Poisson’s coefficient is assessed. The predictions of the mesoscopic models regarding the impact of yarn geometry and mechanical properties on the overall behavior provide a guideline for the design of woven fabrics.