MercuryDPM is a particle-simulation software developed open-source by a global network of researchers. It was designed ab initio to simulate realistic geometries and materials, thus it contains several unique features not found in any other particle simulation software. These features have been discussed in a companion paper published in the DEM7 conference proceedings; here we present several challenging setups implemented in MercuryDPM . Via these setups, we demonstrate the unique capability of the code to simulate and analyse highly complex geotechnical and industrial applications. The setups implemented include complex geometries such as (i) a screw conveyor, (ii) steady-state inflow conditions for chute flows, (iii) a confined conveyor belt to simulate a steady-state breaking wave, and (iii) a quasi-2D cylindrical slice to efficiently study shear flows. MercuryDPM is also parallel, which we showcase via a multi-million particle simulations of a rotating drum. We further demonstrate how to simulate complex particle interactions, including: (i) deformable, charged clay particles; and (ii) liquid bridges and liquid migration in wet particulates, (iii) non-spherical particles implemented via superquadrics. Finally, we show how to analyse and complex systems using the unique micro-macro mapping (coarse-graining) tool MercuryCG.@en

Vegetated soil plays an essential role in confronting climate change. Soil, together with its ecosystem, stores vast amounts of carbon; it is also the construction material most widely used for the built environment. The expected impacts of climate change, such as extreme wetting-drying cycles, pose an urgent need to understand the interplay between soil deformation, root growth, and water/solute uptake. The key to this challenge lies in the extension of unsaturated soil mechanics to incorporate bio-hydrological processes, such as root growth and water uptake. In this paper, we first provide an overview of the state-of-the-art knowledge of root-zone mechanics and bio-hydrology. We identify the main knowledge gaps and suggest an integrated, bottom-to-top approach to develop a multidisciplinary understanding of soil-water-root interaction. We explain how emerging experimental and numerical methods can be used to study rooted soil under wetting–drying cycles. We focus on the biophysical processes at the scale of plant roots, soil particles and their interfaces, and discuss potential up-scaling to the continuum/field scale. An outlook on possible further research involves effects of temperature and microbial activities.@en

We investigate irreversibility in soft frictionless disk packings on approach to the unjamming transition. Using simulations of shear reversal tests, we study the relationship between plastic work and irreversible rearrangements of the contact network. Infinitesimal strains are reversible, while any finite strain generates plastic work and contact changes in a sufficiently large packing. The number of irreversible contact changes grows with strain, and the stress–strain curve displays a crossover from linear to increasingly nonlinear response when the fraction of irreversible contact changes approaches unity.@en

Processability of powders in high load compaction constitutes a challenge due to particle rearrangement, compression and breakage occurring simultaneously. Although tableting is a central operation in pharmaceutical technology, a better understanding of the link between the macroscopic powder behaviour and its micro-mechanical properties is still required. In the present study, a dual focus on the powder compaction behaviour and the quality properties of final tablets using a compaction simulator is presented. Tableting has been performed for a wide size range of limestone powders from 10 to 400 MPa, in order to understand and compare the powder compaction behaviour at both low and high confining stresses. Compactibility of limestone, the relation between porosity and stress, has been assessed with both the classical (logarithmic) Heckel model and the newly proposed (double logarithmic) Wünsch model, confirming the improvement of the latter to enhance the description of the porosity change during compaction, as well as the model robustness towards non-pharmaceutical powders. The qualitative effect of particle size and thus cohesion on the bulk density at high pressure compaction is found to be very similar to the low pressure regime. However, the geometrical interlocking influence of large size powders found in a previous study becomes irrelevant at such high pressures. For d50<10 μm, the tablet tensile strength remains almost insensitive to the size variation. However, for the coarsest grades, the tensile strength decreases with increasing d50 at all compaction stresses. In addition, the tablet tensile strength is found to follow a non-monotonic trend with median particle size.@en

Measurement and prediction of cohesive powder behaviour related to flowability, flooding or arching in silos is found to be very challenging. Previous round robin [52] attempts with ring shear testers did not furnish reliable data and have shown considerable degrees of scatter and uncertainty in key measurements. Thus studies to build a reliable experimental database using reference materials are needed in order to evaluate the repeatability and effectiveness of shear testers and the adopted procedures. In this paper, we study the effect of particle size on the yield locus for different grades of limestone (calcium carbonate). We use the nonlinear Warren Spring equation to obtain the values of cohesion C, tensile strength T, and the shear index n. We recover linear (n = 1) yield loci for d50>70 μm with respectively small C and T, with consistent, finite macroscopic friction C/T = 0.7. With particle size decreasing below 70 μm the response becomes more and more cohesive and non-linear (1<n<2). Then we compare the values of the parameters C,T and n obtained from two different shear testers (Schulze and Brookfield PFT). Both testers run at positive confining stresses (slightly different ranges) and give identical results for large fractions (weakly cohesive). For strongly cohesive samples, the PFT results are very similar to the ring shear tester, with slightly smaller values for T, C, and n. Further experiments with a variety of cohesive powders are needed to confirm or rebut this systematic difference the two testers display for cohesive powders. Finally, we compare the (extrapolated) values of T with a direct, transverse measurement running at negative stresses, using the Ajax tensile tester, and found a very good agreement, which validates the Warren Spring equation for negative stresses.@en

Powders are a special class of granular matter due to the important role of cohesive forces. Because the flow behavior of powders depends on both their flow states and confining stresses, it is difficult to measure/quantify with only one experiment. In this study, the most commonly used characterization tests that cover a wide range of states are compared: (static, free surface) angle of repose, the (quasi-static, confined) ring shear steady state angle of internal friction, and the (dynamic, free surface) rotating drum flow angle are considered for free flowing, moderately and strongly cohesive limestone powders. The free flowing powder gives good agreement of angles among all different situations (devices), while the moderately and strongly cohesive powders behave more interestingly. Starting from the flow angle in the rotating drum and going slower, one can extrapolate to the limit of zero rotation rate, but then observes that the angle of repose measured from the static heap is considerably larger, possibly due to its special history. When we stretch the ring shear test to its lowest confining stress limit, the steady state angle of internal friction of the cohesive powder becomes comparable with the flow angle (at free surface) in the zero rotation rate limit of the rotating drum test, by defining an appropriate effective stress.@en

The bulk properties of powders depend on material characteristics and size of the primary particles. During storage and transportation processes in the powder processing industry, the material undergoes various modes of deformation and stress conditions, e.g., due to compression or shear. In many applications, it is important to know when powders are yielding, i.e. when they start to flow under shear; in other cases it is necessary to know how much stress is needed to keep them flowing. The measurement of powder yield and flow properties is still a challenge and will be addressed in this study. In the framework of the collaborative project T-MAPPP, a large set of shear experiments using different shear devices, namely the Jenike shear tester, the ELE direct shear tester, the Schulze ring shear tester and the FT4 powder rheometer, have been carried out on eight chemically-identical limestone powders of different particle sizes in a wide range of confining stresses. These experiments serve two goals: i) to test the reproducibility/ consistency among different shear devices and testing protocols; ii) to relate the bulk behaviour to microscopic particle properties, focusing on the effect of particle size and thus inter-particle cohesion. The experiments show high repeatability for all shear devices, though some of them show more fluctuations than others. All devices provide consistent results, where the FT4 powder rheometer gives lower yield/steady state stress values, due to a different pre-shearing protocol. As expected, the bulk cohesion decreases with increasing particle size (up to 150 μm), due to the decrease of inter-particle cohesion. The bulk friction, characterized in different ways, is following a similar decreasing trend, whereas the bulk density increases with particle size in this range. Interestingly, for samples with particle sizes larger than 150 μm, the bulk cohesion increases slightly, while the bulk friction increases considerably—presumably due to particle interlocking effects—up to magnitudes comparable to those of the finest powders. Furthermore, removing the fines from the coarse powder samples reduces the bulk cohesion and bulk density, but has a negligible effect on the bulk friction. In addition to providing useful insights into the role of microscopically attractive, van der Waals, gravitational and/or compressive forces for the macroscopic bulk powder flow behaviour, the experimental data provide a robust database of cohesive and frictional fine powders for industrially relevant designs such as silos, as well as for calibration and validation of models and computer simulations.@en

This paper aims to understand the effect of different particle/contact properties like friction, softness and cohesion on the compression/dilation of sheared granular materials. We focus on the local volume fraction in steady state of various non-cohesive, dry cohesive and moderate to strong wet cohesive, frictionless-to-frictional soft granular materials. The results from (1) an inhomogeneous, slowly sheared split-bottom ring shear cell and (2) a homogeneous, stress-controlled simple shear box with periodic boundaries are compared. The steady state volume fractions agree between the two geometries for a wide range of particle properties. While increasing inter-particle friction systematically leads to decreasing volume fractions, the inter-particle cohesion causes two opposing effects. With increasing strength of cohesion, we report an enhancement of the effect of contact friction i.e. even smaller volume fraction. However, for soft granular materials, strong cohesion causes an increase in volume fraction due to significant attractive forces causing larger deformations, not visible for stiff particles. This behaviour is condensed into a particle friction—Bond number phase diagram, which can be used to predict non-monotonic relative sample dilation/compression.@en

The ability of a highly coarse-grained polymer model is explored to simulate the impact of carbon black (CB) filler concentration on the rheological properties of unvulcanized styrene–butadiene melts—an intermediate stage in the production of styrene–butadiene rubber (SBR) commonly used in tyres. Responsive particle dynamics (RaPiD), previously used to study dilute polymeric systems, models entire polymers as single particles interacting through a combination of conservative interactions and transient entanglement-mimicking forces. The simulation parameters are tuned to the linear rheology of the unfilled melt, as measured using a rubber process analyzer (RPA). For the filled compounds, only the interaction between the polymers and fillers is varied. On top of excluded volume interactions, a slight attraction (≈0.1 kBT) between polymers and fillers is required to attain agreement with RPA measurements. The physical origins of the small strength of this interaction are discussed. This method offers potential for future numerical investigations of filled melts.@en

Granular segregation is a common, yet still puzzling, phenomenon encountered in many natural and engineering processes. Here, we experimentally investigate the effect of particles cohesion on segregation in dry monodisperse and bidisperse systems using a rotating drum mixer. Chemical silanization, glass surface functionalization via a Silane coupling agent, is used to produce cohesive dry glass particles. The cohesive force between the particles is controlled by varying the reaction duration of the silanization process, and is measured using an in-house device specifically designed for this study. The effects of the cohesive force on flow and segregation are then explored and discussed. For monosized particulate systems, while cohesionless particles perfectly mix when tumbled, highly cohesive particles segregate. For bidisperse mixtures of particles, an adequate cohesion-tuning reduces segregation and enhances mixing. Based on these results, a simple scheme is proposed to describe the system’s mixing behaviour with important implications for the control of segregation or mixing in particulate industrial processes.@en

Particulate systems and granular matter display dynamic or static, fluid‐ or solid‐like states, respectively, or both at the same time. The mystery of bridging the gap between the particulate, microscopic state and the macroscopic, continuum description is one of the challenges of modern research. This book chapter gives an overview of recent progress and some new insights about the collective mechanical behavior of granular, deformable particles.@en

Granular materials and particulate matter are ubiquitous in our daily life and they display interesting bulk behaviors from static to dynamic, solid to fluid or gas like states, or even all these states together. To understand how the micro structure and inter-particle forces influence the macroscopic bulk behavior is still a great challenge today. This short paper presents stress controlled homogeneous simple shear results in a 3D cuboidal box using MercuryDPM software. An improved rheological model is proposed for macroscopic friction, volume fraction and coordination number as a function of inertial number and pressure. In addition, the results are compared with the locally averaged data from steady state shear bands in a split bottom ring shear cell and very good agreement is observed in low to intermediate inertia regime at various confining pressure but not for high inertia collisional granular flow.@en