GPU-based discrete element simulation on flow stability of flat-bottomed hopper

In this study, the flow stability of the flat-bottomed hopper was investigated via GPU-based discrete element method(DEM) simulation. With the material height inside the hopper reducing, the fluctuation of the flow rate indicates an unstable discharge. The flow regions of the unstable discharge were compared with that of the stable discharge, a key transformation zone, where the voidage showed the largest difference between unstable and stable discharge, was revealed. To identify the relevance of the key transformation zone and the hopper flow stability, the voidage variation of the key transformation zone with material height reducing was studied.A sharp increase in the voidage in the key transformation zone was considered to be the standard for judging the unstable hopper flow, and the ‘Top–Bottom effect' of the hopper was defined, which indicated the hopper flow was unstable when the hopper only had the top area and the bottom area, because the voidage of particles in the top area and the bottom area were both variables.     

A further report on finite element analysis of sintering deformation using densification data—Error estimation and constrained sintering

In a previous paper, Kiani et al. [Kiani, S., Pan, J., Yeomans, J. A., Barriere, M. B. and Blanchart, P., Finite element analysis of sintering deformation using densification data instead of a constitutive law. J. Eur. Ceram. Soc., 2007, 27, 2377–2383] proposed an empirical numerical method to calculate the sintering deformation of ceramic powder compacts without knowing the viscosities and sintering potential. The method was validated by free sintering experiments using specimens with non-uniform initial densities. Two new developments are reported in this paper: (a) a method of error estimation is developed which can be used to check if the empirical analysis is valid after the analysis; (b) a range of case studies are presented showing that the empirical solutions provide very good approximations to the solutions obtained using full constitutive laws not only for free sintering but also for highly constrained sintering of single- or multi-layered films.     

Influence of processing atmosphere on the microstructural evolution of submicron alumina powder during sintering

Investigations into the sintering of submicron oxide powders have revealed interesting behavior, particularly insofar as it concerns their microstructural evolution in the early, low temperature transformations during heating. In this work, experiments were conducted on a submicron alumina powder, whose microstructural evolution and densification were characterized after sintering from 900 °C to 1400 °C in air, dry air and high vacuum (10⁻⁸ atm). The results indicated that the processing atmosphere strongly influences the particle size distribution at low temperatures before shrinkage occurs. Shrinkage began concomitantly with grain growth and the sintering atmosphere influenced the sintering kinetics. This factor, which is associated with previous narrowing of the particle size distribution, may affect grain growth and densification during the final stage of sintering.     

Effect of MgO sintering additive on mullite structures manufactured by fused deposition modeling (FDM) technology

An optimized recipe for 3D printing of Mullite-based structures was used to investigate the effect of MgO sintering additive on the processing stages and final ceramic properties. To achieve dense 3:2 mullite, ceramic filaments were prepared based on an alumina powder, a methyl silicone resin, EVA elastomeric binder and MgO powder. Using 1 wt% MgO and a dwell time of 5 h at 1600 °C, a dense mullite structure could be obtained from filaments with a diameter of 1.75 mm. Ceramic structures with and without sintering additive were printed in vertical and horizontal direction, to investigate the effect of printing direction on mechanical strength after sintering. Using four-point bending test, it was demonstrated that by using MgO, the printing orientation did not affect the mechanical strength significantly anymore. The low Weibull modulus could be explained by the closed porosity that emerge during the degassing of the preceramic polymer due to cross-linking.     

A numerical study on the role of geometry confinement and fluid flow in colloidal self-assembly

As a strategy of autonomously organising nanoparticles into patterns or structures, colloidal self-assembly has attracted significant interests in both fundamental research and applied science. Discrete element method (DEM) coupled with a simplified fluid flow model is applied to investigate convective colloidal self-assembly. The model developed takes into account the interparticle interactions, i.e. the electrostatic repulsion, van der Waals attraction, Brownian motions, and the hydrodynamic effect. Therefore, a detailed insight of the combined influences of fluid flow field, geometrical confinement, and the interparticle interactions on the self-assembly process can be obtained. In this study, we simulated different self-assembled structures and various transition areas where a growing crystal transits from n to n + 1 layer as a function of varied 3 phase contact angle, which is represented by a wedge geometry, and the velocity and direction of fluid flow. The crystal defects and the formation mechanism of different defects are theoretically studied through numerical simulation.     

Numerical study on microscopic mixing characteristics in fluidized beds via DEM

In this paper, discrete element method (DEM), combined with computational fluid dynamics (CFD), is used to investigate the micro-mixing process in fluidized beds (FBs) of uniform particles. With the aid of snapshots and adoption of Lacey and Ashton indexes, mixing evolvement for two cases, fluidized bed using horizontal distributor with even gas supply and fluidized bed using inclined distributor with uneven gas supply, is discussed in detail. Results indicate that the Ashton index appears to be more effective in assessing the mixing dynamics in this work. Further analyses illustrate that in the case of horizontal distributor incorporated with even gas supply, diffusive mixing pattern is predominant, since bubbles lateral motion is reduced in such a bed; whereas, there is a faster convective mixing process in a fluidized bed using inclined distributor with uneven gas feed, followed by shear mixing. Generally, localized air supply induces the density gradient of particle distribution in the bed, which is the basic agent of convective particle stream. The analyses are confirmed by the comparison of solid flux during the simulations of the two cases. In addition, the mixing mechanism and the mixing time scale agree well with published experimental results.     

Influence of conductive secondary phase on thermal gradients development during Spark Plasma Sintering (SPS) of ceramic composites

Spark Plasma Sintering (SPS) has attracted a lot of interest in recent years owing to its ability to enable the densification of a broad range of materials in a very short processing time. It is well documented in the literature that the very high heating rates that can be applied with this technology can lead to the apparition of large thermal gradients in the tool and thus affect the homogeneity of the compact.In the present study, the influence of the compact thermal and electrical properties on the thermal gradients was studied. Al₂O₃, AlN and TiC powders were used to produce series of Al₂O₃-TiC and AlN-TiC composites (0, 25, 50, 75, 100 vol%TiC) showing different electrical and thermal conductivities. Two pyrometers were used in order to observe and measure the thermal gradients and the percolation of the current during sintering at a high heating rate and without insulation.Electrical conductivity measurements were carried out on samples presenting different relative densities. This samples were obtained through interrupted sintering cycles at temperatures below and above the identified percolation threshold temperature.It was shown that high thermal gradients can appear during SPS depending on the processing parameters (dimensions of the die and heating rate) but also on the composition of the compact (proportion of conductive phase) and on its density.     

Effects of rotational speed and fill level on particle mixing in a stirred tank with different impellers

The particle mixing was studied in a cylindrical stirred tank with elliptical dished bottom by experiments and simulations.The impeller types used were double helical ribbon(HR) + bottom HR,pitched blade ribbon + bottom HR,inner and outer HR + bottom HR,and pitched blade ribbon + Pfaudler + bottom HR labeled as impellers Ⅰ to Ⅳ,respectively.The quantitative correlations among the rotational speed,fill level and power consumption for impeller Ⅰ and impeller Ⅱ were obtained by experiments to validate the discrete element method(DEM) simulations.The particle mixing at different operating conditions was simulated via DEM simulations to calculate the mixing index using the Lacey method,which is a statistical method to provide a mathematical understanding of the mixing state in a binary mixture.The simulation results reveal that as the rotational speed increases,the final mixing index increases,and as the fill level increases,the final mixing index decreases.At the same operating conditions,impeller Ⅲ is the optimal combination,which provides the highest mixing index at the same revolutions.     

Advances in micro-mechanical modeling using a bonded-particle model and periodic homogenization within discrete element framework applied to heterogeneous ceramics

The Discrete Element Method (DEM) can account for microcracks initiations and propagations within the microstructure and their impact on the macroscopic properties of ceramics. Combing the DEM with the Periodic Homogenization (PH) allows working with a limited number of elements, thus facilitating the multiscale transition of the elastic properties of ceramics: from the microscale (inclusion/pores scale) to the macroscopic elastic behavior of such continuum media. However, the PH approach for a continuum media is currently less developed in DEM than the FEM. Hence, this study aims to consolidate a DEM framework, using a bonded-particle model and PH to improve the prediction of the elastic properties (Cij tensor) of ceramics. Here, a face-centered cubic unit cell is combining? with periodic boundary conditions to build a 3D representative volume element in DEM to model the macroscopic elastic properties of model materials and is validated by experimental data, analytical and FEM approaches.     

添加物对LaCrO3材料烧结的影响

以钙质铬酸镧微粉为主原料,研究了分别添加ZrO2、CaO、MgO、SiO2或Al2O3五种微粉对铬酸镧材料烧结的影响。通过测定试样的体积密度、显气孔率,并借助电镜观察分析,对铬酸镧材料的烧结性进行了探讨。结果表明:在铬酸镧材料中分别添加ZrO2、CaO、MgO、SiO2或Al2O3,均能促进材料的烧结,使材料达到致密,并能使烧结温度降到1650℃。从显微结构看,添加ZrO2、MgO或CaO的铬酸镧烧结体,晶粒以固-固结合为主,而添加SiO2或Al2O3的铬酸镧烧结体晶粒间则以液相结合为主,且结构中有较多的封闭气孔。当温度再升高时,由于铬离子的挥发以及具有较低体积密度的相的生成,反而会使铬酸镧材料的密度下降。     

Numerical simulation of hydrodynamics in downers using a CFD-DEM coupled approach

The gas-solid flows in a two-dimensional downer of 10 m in height and 0.10 m in width were simulated using a CFD-DEM method, where the motion of particles was modeled by discrete element method (DEM) and the gas flow was described by Navier-Stokes equations. The simulations revealed a rich variety of developing flow structures in the downer under different operating conditions. The two-phase flow development can be clearly characterized by the micro-scale particle distributions in the downer. Near the inlet, the particle distribution is dominated by the distributor design. Then, the particles disperse in the column, forming a homogeneous transit region. After that clusters start to form and modulate the gas-solid flow field till the fully-developed state. The particle-scale simulation disclosed that the clusters are composed of loosely collected particles, and these particles have the same flow direction as the bulk flow so that no particle backmixing can be observed. As the particles in the downer have the tendency to maintain the inertia, the capability of lateral transfer of particles is relatively weak, which was illustrated by tracking the movement of the single particles and clusters. The simulations of the inlet effect on the hydrodynamics in the downer showed that the gas-solid flow structure and the mixing behavior are sensitive to the inlet design. An inappropriate design or operation would probably cause the undesired flow phenomena such as the wide distribution of residence times. The time-averaged hydrodynamics based on the transient simulations showed good agreement with the experimental findings in the literature. The simulation based on the CFD-DEM coupled approach provides a theoretical way to comprehensively understand the physics at micro- to macro-scales in the co-currently downward gas-solid flows.     

A critique of master sintering curve analysis

In this work, we explore factors affecting the accuracy of the master sintering curve (MSC) approach for analyzing the complete sintering profile of ceramic powders. We show that the instantaneous anisotropic shrinkage must be accounted for to develop an accurate MSC. The MSC diverges at >90% density because of basic assumptions that oversimplify the analysis of the densification process. We also show that powder chemistry and forming techniques can affect the fitting parameter Q. Q should not be interpreted as the sintering activation energy, or used to interpret mechanistic differences since it is comprised of several mechanisms that influence densification throughout the sintering cycle. Despite these limitations, the MSC is a useful and practical tool for predicting thermal load (i.e. time and temperature) effects on the densification of a ceramic part fabricated from a singular powder that is fabricated by a singular forming process.     

Constitutive modeling of the behaviour of cermet compacts during reaction sintering

This study deals with the identification of a constitutive equation describing the mechanical behaviour of a nickel ferrite based cermet during sintering. This constitutive equation considers the material as a continuum and may enable one to predict the densification behaviour of a powder under different thermal treatments and the impact of compact geometry, external loading on strain and stress generation. A classical viscous equation of the Newtonian type that includes a term describing free sintering densification has been chosen. The method used for the identification of the parameters of this equation is the one proposed Gillia et al., which is based on dilatometry measurement. It includes a stairway thermal cycle for the determination of the free sintering term and intermittent loading for estimating the viscosity. This approach has been successfully applied to nickel ferrite cermet. The model has been found to be adequate to model the densification behaviour up to 1250 °C, but experimental and theoretical efforts must be accomplished to describe the behaviour above this temperature, when the material exhibits swelling.     

Thermochemical model on the carbothermal reduction of oxides during spark plasma sintering of zirconium diboride

Carbon was used to reduce oxides in spark plasma sintered ZrB₂ ultra-high temperature ceramics. A thermodynamic model was used to evaluate the reducing reactions to remove B₂O₃ and ZrO₂ from the powder. Powder oxygen content was measured and carbon additions of 0.5 and 0.75 wt% were used. A C–ZrO₂ pseudo binary diagram, ZrO₂–B₂O₃–C pseudo ternaries, and Zr–C–O potential phase diagrams were generated to show how the reactions can be related to an open system experiment in the tube furnace. Scanning transmission electron microscopy identified impurity phases composed of amorphous Zr–B–O with lamellar BN and a Zr–C–O ternary model was calculated under SPS sintering conditions at 1900°C and 6 Pa to understand how oxides can be retained in the microstructure.     

Numerical modelling of the quasi-brittle behaviour of refractory ceramics by considering microcracks effect

In the steelmaking industry, the inner lining of ladles is made of refractory ceramics, which are constantly subjected to thermal shocks during their service. Experimentally, it is observed that pre-existing microcracks could significantly increase the thermal shock resistance of these ceramics. The presence of such microcracks network within the refractory microstructure could lead to a non-linear quasi-brittle mechanical behaviour.To model this quasi-brittle behaviour, a suitable numerical approach is the Discrete Element Method (DEM), which can circumvent the limitations of more conventional continuum approaches in capturing microstructural effects required to simulate multi-fracture propagation.Here, it is aimed to simulate such quasi-brittle behaviour by initial well-distributed damages, with a strength dispersion following a Weibull distribution. In this way, the microcracks effect on the quasi-brittle behaviour of a numerical sample under uniaxial and cyclic tensile tests is investigated. Ultimately, a quantitative DEM model to simulate such a complex behaviour is proposed.     

Spark plasma sintering of UO2 nanopowders: Pressure,heating rate and current effects

We analysed with different methods the densification of UO₂ nanopowders in SPS under constant heating rate (CHR) and isothermal sintering conditions. The apparent activation energy of densification in SPS (75 kJ/mol with CHR method) is significantly smaller than in conventional sintering. It is shown that this is likely not an effect of the applied current. We also observed a threshold stress at 64 MPa for the transition from pressure-insensitive sintering (stress exponent n≈0) to pressure-assisted sintering, suggesting that the contribution of the capillary stresses in such nanopowders is comparable with the typical stress applied in SPS.     

Effects of mixing state of composite powders on sintering behavior of cathode for solid oxide fuel cells

For efficient development of high-performance composite electrodes for solid oxide fuel cells (SOFCs), it is crucial to precisely tailor the microstructural features of the electrodes, such as their grain size, phase connectivity, and pore structure. Herein, we report the effects of the mixing state of component powders of a composite cathode composed of Sr-doped LaMnO₃ (LSM) and yttria-stabilized zirconia (YSZ) on its sintering behavior. LSM-YSZ composite powders were synthesized by a particle-dispersed glycine-nitrate process using YSZ particles as inclusions in the LSM precursor solution. The dispersion state of the YSZ particles in the solution was varied from a well-dispersed state to a highly flocculated state through adjustment of the amount of adsorbed polyethylene glycol. The dispersion state of the component powders was found to strongly impact the densification behavior of the composite, which was explained by the formation of a continuous network of the “slow-sintering” inclusion particles. A highly porous structure with phase connectivity and sufficient triple phase boundaries could be achieved by enhancing the mixing homogeneity and optimizing the mixing scale. The proposed concept provides new insights into the microstructural evolution of composites in constrained sintering, and it could potentially enable development of the ideal electrode structure for SOFCs.     

不同入口结构下行床内气固流动及混合行为的CFD-DEM模拟

采用计算流体力学和离散单元模型（CFD-DEM）耦合一种简单的气固催化反应模型对具有不同入口结构的二维下行床内的气粒流动和混合行为进行全床数值模拟。模拟得到了不同入口结构下行床内的多尺度气固运动状态、全床的固含、速度及反应生成物浓度分布,以及气体和颗粒在下行床内的停留时间分布,发现入口结构对反应器内的流动、混合和气固接触效率起着关键性的作用,入口气体和颗粒的不均匀分布将导致下行床内气体停留时间的宽分布以及气固接触效果的恶劣。     

Force model considerations for glued-sphere discrete element method simulations

Despite knowing that particle shape plays a significant role in the dynamics of powder flow, most discrete element method (DEM) simulations utilize spherical particles. The reasons for using spheres are that (a) the contact detection scheme for spherical particles is simple, and (b) the contact force models for contacting spheres are well known (e.g. a Hertzian contact).Several schemes for modeling non-spherical particles have been proposed including those that involve polyhedra, ellipsoids, sphero-cylinders, and superquadrics. Perhaps the most common approach for modeling non-spherical particles, however, is using “glued spheres,” in which irregular particle shapes are produced by rigidly connecting individual, and possibly overlapping, spheres. The advantage of the glued-spheres approach is that even for complex particle shapes the simple spherical contact detection algorithm may be retained.Recent publications have focused on how approximating a given particle shape using a glued-sphere geometry affects the rebound of colliding particles [e.g. Price, M., Murariu, V., Morrison, G., 2007. Sphere clump generation and trajectory comparison for real particles. In: Fourth International Conference on Discrete Element Methods (DEM), Brisbane, Australia; Kruggel-Emden, H., Rickelt, S., Wirtz, S., Scherer, V., 2008. A study on the validity of the multi-sphere discrete element method, Powder Technology 188 (2), 153-165]. These investigations have focused on the errors introduced by approximating the geometry of the true particle shape. What has not been investigated, however, is how the spherical particle derived force models used in glued-sphere particle geometries influence the response of particle collisions. This paper demonstrates that in instances where more than a single component sphere in a glued-sphere model is involved in a contact, a modified force model must be used to produce an accurate force-deflection response.