Realistic Particle Shapes Research Articles

Calibration of Discrete Element Method Parameters for a High-Fidelity Lunar Regolith Simulant Considering the Effects of Realistic Particle Shape

The Discrete Element Method (DEM) is an important tool for investigating the geotechnical properties of lunar regolith. The accuracy of DEM simulations largely depends on precise particle modeling and the appropriate selection of mesoscopic parameters. To enhance the reliability and accuracy of the DEM in lunar regolith studies, this paper utilized the high-fidelity IRSM-1 lunar regolith simulant to construct a DEM model with realistic particle shapes and conducted an angle of repose (AoR) simulation test. The optimal DEM parameters were calibrated using a combination of the Plackett–Burman test, steepest ascent test, and Box–Behnken design. The results indicate that the sliding friction coefficient, rolling friction coefficient, and surface energy significantly influence the simulation AoR. By optimizing against the measured AoR using a second-order regression model, the optimal parameter values were determined to be 0.633, 0.401, and 0.2, respectively. Under these optimal parameters, the error between the simulation and experimental AoR was 2.1%. Finally, the calibrated mesoscopic parameters were validated through a lifting cylinder test, showing an error of 6.3% between the simulation and experimental results. The high similarity in the shape of the AoR further confirms the accuracy and reliability of the parameter calibration method. This study provides a valuable reference for future DEM-based research on the mechanical and engineering properties of lunar regolith.

Strength and fabric anisotropy of granular materials under true triaxial configurations using DEM

This paper investigates the strength and fabric anisotropy of granular materials under true triaxial configurations using the discrete element method. A clump logic based on the multi-sphere approach was utilized to replicate realistic particle shapes. The evolutions of deviatoric stress and volumetric strains were found to be independent of mean effective stress, and intermediate principal stress parameter (b). From a macroscopic viewpoint, all samples exhibited initial strain hardening followed by softening behaviour, stabilizing at large deviatoric strains due to the dense state of assemblies. The peak state friction angles showed dependency on the b-value, aligning closely with experimental findings. Microscopic parameters such as mechanical coordination number and sliding fraction were found to be approximately independent of b-values. Additionally, non-coaxiality was observed for various b-values except for specific shear modes, aligning with previous findings using spherical particles. These results highlight the capability of clumped particles to simulate the true mechanical behaviour of granular materials and contribute to our understanding of their complex response under different loading conditions.

An experimental and numerical study of the influence of the additive manufacturing process in packing properties of particles: the printed shape matters

Investigations into the various properties of granular matter composed of particles with defined shapes have gained increasing attention. Additive manufacturing, with its freedom of shape and rapid prototyping capabilities, has significantly contributed to these studies. However, this technique may introduce defects in the manufactured particles, which can significantly affect the properties of granular materials. The extent of these defects on particles of different shapes is investigated here. Particles of various shapes (cube, octahedron, quatropod, stellated octahedron, tetrahedron, and tetrapod) were manufactured and subsequently imaged using micro-Computed Tomography. The surface roughness, solidity, and convexity of the particles were quantified. Discrete element simulations of granular bed porosity, utilizing both idealized and real particle shapes, were conducted with different surface mesh resolutions and frictional parameters. A clear influence of the manufacturing process on the packing properties of 3D printed particles was identified. This influence is not uniform across all shapes and is directly correlated with the particle convexity. For numerical simulations, a shape-dependent correction of particle density and surface characteristics are imperative for each shape under consideration, despite the fact that the particles were manufactured using the same technique and material.Graphic abstract

Modeling a Flexible Membrane for Triaxial Tests with Coupled FDM–DEM: Considering Realistic Particle Shape Effects

Modeling a Flexible Membrane for Triaxial Tests with Coupled FDM–DEM: Considering Realistic Particle Shape Effects

Convective heat transfer coefficients models for biomass cylindrical particles from low to high aspect ratio

This study investigates the heat transfer of co-firing biomass in coal-fired power station boilers, with a focus on practical application for realistic particle shapes. At present, there are no heat transfer or Nusselt number (Nu) correlations available for biomass particles of cylindrical shape such as straw particles. In this study, a direct numerical simulation (DNS) of the heat transfer between cylindrical particles in a heated flow are performed with OpenFOAM-using a body-fitted mesh. The impact of the Reynolds number Re, aspect ratio AR, and angle of incidence θ in the range of (10 ≤ Re ≤ 2000, 1 ≤ AR ≤ 18, 0° ≤ θ ≤ 90°) on the Nusselt number are determined using a systematical analysis of the thermal flow characteristics for different particle temperature fields. The results show that the aerodynamics and geometrical factors of the cylindrical shape play a dominant role in the heat transfer. A model for the Nusselt number is proposed based on a curve fit of the simulation results, which has a root mean square error (RMSE) of 2.2 × 10-2 and an average relative error of 1.15 %. The independence test of the model has an average error of 5.1 %, indicating a high prediction accuracy. Compared to experimental and simulated data from the literature, the model demonstrates reasonable accuracy within its range of applicability, with a relative error of only 5.05 %. This study provides insights into the heat transfer of biomass particles with cylindrical shape and presents a new mathematical model for the Nusselt number, which can be used to improve the accuracy of the heat transfer prediction using point particle models.

A fully coupled micro-hydromechanical (micro-HM) model for partially saturated soils based on DEM

A fully coupled micro-hydromechanical (micro-HM) model is developed for partially saturated soils in this study by integrating two-dimensional pore morphology (PM) approach and discrete element method (DEM). In the proposed model, the PM approach is employed to predict the tentative water distribution. The porous media marching cubes (PMMC) algorithm is adopted to evaluate the interphase interfaces and to further calculate the capillary forces. The combined effects of interparticle contact forces and the capillary forces on the motion of particles are handled by DEM. The developed model was then employed to conduct a series of numerical biaxial shear tests on a partially saturated soil with real particle shapes. The typical macroscopic responses such as stress–strain relationship, volume change, and saturation change can be well simulated by the micro-HM model. Based on the micro-HM model, a novel equation is proposed to directly evaluate the effective stress from the pore water distribution. The effective stress parameter and the suction contribution to effective stress calculated by the new equation well matches the experimental data, thus confirming the validity of the micro-HM model and the new equation of effective stress. The microscopic responses are then revealed and discussed through the proposed model.

The first microwave and submillimetre closure study using particle models of oriented ice hydrometeors to simulate polarimetric measurements of ice clouds

Abstract. The first closure study involving passive microwave and submillimetre measurements of ice clouds with the consideration of oriented particles is presented, using a unique combination of polarised observations from the ISMAR spectral-like radiometer, two radars with frequencies of 35 and 95 GHz, and a variety of in situ instruments. Of particular interest to this study are the large V–H polarised brightness temperature differences measured from ISMAR above a thick frontal ice cloud. Previous studies combining radar and passive submillimetre measurements have not considered polarisation differences. Moreover, they have assumed particle habits a priori. We aim to test whether the large V–H measurements can be simulated successfully by using an atmospheric model consistent with in situ microphysics. An atmospheric model is constructed using information from the in situ measurements, such as the ice water content, the particle size distribution, and the mass and shape of particles, as well as background information obtained from dropsonde profiles. Columnar and dendritic aggregate particle models are generated specifically for this case, and their scattering properties are calculated using the independent monomer approximation under the assumption of horizontal orientation. The scattering properties are used to perform polarised radiative transfer simulations using ARTS to test whether we can successfully simulate the measured large V–H differences. Radar measurements are used to extrapolate the 1-D microphysical profile to derive a time series of particle size distributions which are used to simulate ISMAR brightness temperatures. These simulations are compared to the observations. It is found that particle models that are consistent with in situ microphysics observations are capable of reproducing the brightness temperature depression and polarisation signature measured from ISMAR at the dual-polarised channel of 243 GHz. However, it was required that a proportion of the particles were changed in order to increase the V–H polarised brightness temperature differences. Thus, we incorporated millimetre-sized dendritic crystals, as these particles were observed in the probe imagery. At the second dual-polarised channel of 664 GHz, the brightness temperature depressions were generally simulated at the correct locations; however, the simulated V–H was too large. This work shows that multi-frequency polarisation information could be used to infer realistic particle shapes, orientations, and representations of the split between single crystals and aggregates within the cloud.

Three-dimensional characterization of particle size, shape, and internal porosity for Apollo 11 and Apollo 14 lunar regolith and JSC-1A lunar regolith soil simulant

Samples of soils collected by the Apollo 11 mission (10084,2036) and the Apollo 14 mission (14163,940) were obtained from the NASA Curation and Analysis Planning Team for Extraterrestrial Materials (CAPTEM) program. The particle size, shape, and internal porosity were characterized in three dimensions (3D) using a combination of X-ray computed tomography (XCT) and mathematical analysis, with various size and shape parameters measured and calculated for each particle. High-resolution scanning electron microscopy (SEM) was used to image the particles that were too small for the two XCT instruments used. Similar characterization was carried out on samples of JSC-1A lunar soil simulant, updating a previous analysis. Approximately 14,000 lunar regolith particles and 128,000 JSC1-A particles, covering a wide range of size and shape, were characterized for this paper and the results stored in a publicly accessible database. This large number of particles enabled, for the first time, statistically valid particle shape distributions to be generated. The 3D shape distributions of the two regoliths and JSC-1A were quantitatively compared and it was found that the way particle shape and porosity depends on particle size was different between regolith and simulant. The measured size distribution of particles in the lunar soils was applied to estimate the relative contributions of different sizes to the ensemble average particle single scattering albedo and phase function. By linking our particle counts to published sieve weight fractions for the lunar samples, we find that ∼80% of the total cross-section area is contributed by particles <20 μm diameter and ∼ 50% by particles <8 μm diameter. The orientation-averaged two-dimensional projected areas of the actual regolith particles were computed so that this estimate was also based on real particle shapes. Such small sizes dominating the total cross-section area suggest that calculations of the elements of the scattering matrix for individual particles may be possible with modest computing capabilities leading to the development of improved models for the quantitative interpretation of remote sensing spectrophotometry and polarimetry. This 3D characterization and database will enable other computational work to be done with real lunar regolith particle shapes, including discrete element method mechanical modeling, packing simulations, further light scattering calculations, dust contamination modeling, and modeling of lunar rover interactions with collected and packed regolith particles.

Exploring the micro-to-macro response of granular soils with real particle shapes by way of μCT-aided DEM analyses

This contribution provides high-fidelity images of real granular materials with the aid of X-ray micro-computed tomography (μCT), and employs a multi-sphere representation to reconstruct non-spherical particles. Through discrete-element method (DEM) simulations of granular samples composed of these non-spherical clumps, the effect of particle shape on the macroscopic mechanical response and microscopic soil fabric evolution is examined for soil assemblies under triaxial compression. Simulation results indicate that materials with more irregular particles tend to show higher shear resistance in both peak and critical states, while exhibiting higher void ratio under isotropic loading conditions and in the critical state. The proposed critical state parameters for describing the sensitivity of the mean coordination number to confining pressures are larger as particles become more irregular. At a microscopic level of observation, directional and scalar parameters of particle contacts are sensitive to predefined particle shapes. More irregular materials appear to exhibit higher fabric anisotropy with respect to particle orientation in the critical state, while the branch vector is affected by both contact modes and particle shape. The critical stress ratio from the simulation results is validated by comparing with experimental results, and further found to be linearly linked to the shape-weighted fabric anisotropy indices.

Volume-interacting level set discrete element method: The porosity and angle of repose of aspherical, angular, and concave particles

Despite the many advances in the numerical modelling of granular materials using the discrete element method (DEM), the description of realistic particle shapes, especially concave shapes, remains challenging. Little is known about the effect of concavity on properties such as the porosity and angle of repose. In this work, volume-interacting level set DEM (VLS-DEM) was used to study the effect of asphericity, angularity, and concavity on the porosity and angle of repose. By taking the Platonic solids and applying a hyperbolisation procedure, a continuous spectrum of shapes, ranging from rounded to highly angular, was generated and investigated. Results show that, when combined, angularity and concavity have a disproportionately large effect on the porosity and angle of repose. They also demonstrate the importance of particle shape and that even convex polyhedra may be insufficient to accurately capture the effect of shape on fundamental powder properties.

Computer vision-aided DEM study on the compaction characteristics of graded subgrade filler considering realistic coarse particle shapes

The compaction quality of subgrade filler strongly affects subgrade settlement. The main objective of this research is to analyze the macro- and micro-mechanical compaction characteristics of subgrade filler based on the real shape of coarse particles. First, an improved Viola–Jones algorithm is employed to establish a digitalized 2D particle database for coarse particle shape evaluation and discrete modeling purposes of subgrade filler. Shape indexes of 2D subgrade filler are then computed and statistically analyzed. Finally, numerical simulations are performed to quantitatively investigate the effects of the aspect ratio (AR) and interparticle friction coefficient (μ) on the macro- and micro-mechanical compaction characteristics of subgrade filler based on the discrete element method (DEM). The results show that with the increasing AR, the coarse particles are narrower, leading to the increasing movement of fine particles during compaction, which indicates that it is difficult for slender coarse particles to inhibit the migration of fine particles. Moreover, the average displacement of particles is strongly influenced by the AR, indicating that their occlusion under power relies on particle shapes. The displacement and velocity of fine particles are much greater than those of the coarse particles, which shows that compaction is primarily a migration of fine particles. Under the cyclic load, the interparticle friction coefficient μ has little effect on the internal structure of the sample; under the quasi-static loads, however, the increase in μ will lead to a significant increase in the porosity of the sample. This study could not only provide a novel approach to investigate the compaction mechanism but also establish a new theoretical basis for the evaluation of intelligent subgrade compaction.

Discrete element modelling of granular materials incorporating realistic particle shapes

This paper proposes an approach to generate realistic particle shapes considering the major plane of orientation of particles in discrete element modelling (DEM). The particle generation framework includes capturing high-quality scanning electron microscope (SEM) images, followed by image processing and generation of clumps using a commonly used multi-sphere (MS) approach in particle flow code (PFC3D). A set of experimental direct shear tests (DST) and subsequent DEM simulations were performed by incorporating realistic particle shapes. The simulation results show a good agreement with those obtained in the laboratory. In addition, the normal stress showed a significant effect on the structural anisotropy of the granular materials.

DEM study of an “avatar” railway ballast with real particle shape, fabric and contact mechanics

In this paper we show DEM simulations of static and cyclic large triaxial tests on a sample of railway ballast. The sample is reconstructed from X-Ray tomography images of an untested laboratory sample, recovered by impregnation with an epoxy resin. Measurements of both shape and fabric are carried out; the sample shows a high anisotropy of particle orientations due to the preparation procedure and a high shape heterogeneity. A DEM model is then generated using clumps to model single particles, preserving the shape of each particle and the fabric of the sample. Results of static and cyclic simulations are shown and compared with previous simulations on numerically generated samples, showing the importance of an accurate representation of the whole range of particle shapes, as well as confirming the effect of particle anisotropy on the mechanical response.Graphical

Micro-mechanical perspective on the role of particle shape in shearing of sands

This study presents a micro-mechanical perspective on the role of realistic particle shapes in shearing of sands through calibration with physical experiments and parametric studies using discrete element method (DEM) to reveal the different mechanics between irregular particles and spherical particles incorporating rolling resistance (μr). To achieve this goal, particle shapes of Toyoura sand were captured by micro-computed tomography and reconstructed using a clump generation algorithm in DEM. The use of clumps in DEM led to closer match with experimental results of triaxial tests at various porosities and confining pressures, which could not be achieved by sphere models with μr. With realistic particle shapes, initial rotations of clumps were allowed until they became interlocked, while the load resistance built up gradually. High coordination numbers were observed, with force chains relatively evenly distributed. In contrast, the use of μr in sphere models promoted the formation of voids that were sustained during the loading process, because rotational motions of particles were hampered by μr and they did not easily collapse into the voids. This was accompanied by polarised strong force network around the voids, leading to more dilative and brittle macroscopic behaviour than observed in physical experiments. These findings illustrate that particle shapes cannot be sufficiently replaced by the use of sphere models and μr due to intrinsic differences in their micro-mechanics.

Study of cone penetration test in granular soil considering realistic particle shapes by discrete element method in 3D

This paper aims to investigate the impact of the particle shape of granular soil particles on the results of cone penetration test (CPT). The discrete element method (DEM) was used to model the CPT in soil particle samples in 3D. The influence of particle shape is studied by parameters of overall regularity (OR), which is obtained from different mixing ratios of the real shape particles and spherical particles. The real particle shapes are obtained from a 3D laser scanner for the simulations. The particle refinement method is applied to enhance computation efficiency. The cone resistance and sleeve resistance curves are smoothed by fitting equations. The factors of OR of soil, particle friction coefficient, particle roundness and initial porosity were demonstrated to have considerable influences on the cone tip resistance and sleeve resistance. The displacement field and the rotational field were plotted to study the microscopic behaviour of granular soils during the penetration process.

Determination of 2D Particle Size Distributions in Plasmonic Nanoparticle Colloids via Analytical Ultracentrifugation: Application to Gold Bipyramids

Multidimensional particle properties determine the product properties in numerous advanced applications. Accurate and statistically meaningful measurements of complex particles and their multidimensional distributions are highly challenging but strongly needed. 2D particle size distributions of plasmonic nanoparticles of complex regular shape can be obtained from analytical ultracentrifugation experiments via the optical back coupling method. A workflow for the calculation of frictional properties of arbitrarily shaped nanoparticles was developed based on bead shell models and applied to gold bipyramids with a pentagonal cross-section. The obtained 2D particle length-diameter distributions and the reduced cumulative 1D length and diameter distributions were compared to transmission electron microscopy measurements. While we find very good agreement for most measurements, the obtained length and diameter distributions were shifted by a few nanometers for some samples. Transmission electron microscopy, energy-dispersive X-ray spectroscopy, electron tomography, and finite element modeling indicate that the shift originated from a slight mismatch between the assumed shape of the simulated perfect bipyramids and the real particle shape and composition due to the presence of silver in the particles. This study demonstrates the feasibility of the applied techniques for complex shape analysis of nanoparticle ensembles with unmatched particle count numbers.

球面調和関数－主成分分析による粒子形状生成と個別要素法への適用

In various fields, most raw materials are in a granular state: their bulk properties are therefore of interest. The discrete element method (DEM) is frequently used to determine these properties. As numerous particles can be simulated by DEM, and particle shapes affect bulk properties, effective modeling of realistic particle shapes is required. In this study, two types of DEM simulations were compared: one using real ore particle shape, and one using particle shape computed by spherical harmonic-based principal component analysis. We confirmed the latter to successfully reproduce the bulk properties (repose angle, porosity, and coordination number) of the former.

Plasmonic Properties of Individual Gallium Nanoparticles.

Gallium is a plasmonic material offering ultraviolet to near-infrared tunability, facile and scalable preparation, and good stability of nanoparticles. In this work, we experimentally demonstrate the link between the shape and size of individual gallium nanoparticles and their optical properties. To this end, we utilize scanning transmission electron microscopy combined with electron energy loss spectroscopy. Lens-shaped gallium nanoparticles with a diameter between 10 and 200 nm were grown directly on a silicon nitride membrane using an effusion cell developed in house that was operated under ultra-high-vacuum conditions. We have experimentally proven that they support localized surface plasmon resonances and their dipole mode can be tuned through their size from the ultraviolet to near-infrared spectral region. The measurements are supported by numerical simulations using realistic particle shapes and sizes. Our results pave the way for future applications of gallium nanoparticles such as hyperspectral absorption of sunlight in energy harvesting or plasmon-enhanced luminescence of ultraviolet emitters.

Coupled DEM-FEM methods for analyzing contact stress between railway ballast and subgrade considering real particle shape characteristic

To investigate the stress concentration at the interface between crushed ballast and soil subgrade, this study developed a coupling program of discrete element method (DEM) and finite element method (FEM) using OOFEM and YADE software. Based on the penalty function method, an interface element was introduced for the DEM-FEM coupling simulation. Moreover, an adaptive volume coupling algorithm was proposed to address the unrestricted behavior of the particles across the interface elements. Therefore, the change in the interface contact stress distribution was analyzed in the process of ballast particles penetrating the subgrade soil. Based on the statistical analysis of the ballast shape scanning results, a morphology reconstruction method was adopted to restore the real irregular shapes of the ballasts. Consequently, a DEM-FEM coupling model of a ballasted railway was established and validated through laboratory test results. The meso-scale mechanism revealed the discontinuous characteristics of the contact stress caused by the ballast aggregates. In addition, the adaptive volume coupling algorithm in the case of ballast penetrating subgrade soil was preliminarily proven to be reasonable. This study provides a more accurate approach for calculating the interface stress between ballast and subgrade, which can support a further refined analysis of ballast railway subgrade deterioration.

Modelling real particle shape in DEM: a comparison of two methods with application to railway ballast

Two different methods for the modelling of real particle shape in 3D DEM simulations are assessed in this paper. The first method uses overlapping spheres (clumps), while the second uses a block defined as a closed and convex polyhedron. The two methods are applied to the modelling of triaxial tests on a railway ballast. The macroscopic responses obtained with the two methods are compared, and it is observed that with clumps a higher shear strength, closer to the experimental response, can generally be achieved. A micromechanical analysis is also carried out to highlight how the modelled particle shape affects the mechanics, and consequently explain the difference in the macroscopic response. It is observed, in particular, that a key feature of real particle shape is concavity, that plays an important role in the mechanics of a granular assembly. Finally, the combined effect of particle shape and interparticle friction coefficient on the shear strength is assessed. This confirms that even for real (angular) shapes, peak strength increases with interparticle friction, while critical state strength first increases and then tends to saturate above a certain interparticle friction.