X-ray 3D imaging-based microunderstanding of granular mixtures: Stiffness enhancement by adding small fractions of soft particles.

This research focuses on performing ultrasound propagation measurements and micro-X-ray computed tomography (µXRCT) imaging on prestressed granular packings prepared with biphasic mixtures of monodisperse glass and rubber particles at different compositions/fractions. Ultrasound experiments employing piezoelectric transducers, mounted in an oedometric cell (complementing earlier triaxial cell experiments), are used to excite and detect longitudinal ultrasound waves through randomly prepared mixtures of monodisperse stiff/soft particles. While the fraction of the soft particles is increasing linearly from zero, the effective macroscopic stiffness of the granular packings transits nonlinearly and nonmonotonically toward the soft limit, remarkably via an interesting stiffer regime for small rubber fractions between 0.1 ≲ ν ≲ 0.2. The contact network of dense packings, as accessed from µXRCT, plays a key role in understanding this phenomenon, considering the structure of the network, the chain length, the grain contacts, and the particle coordination. While the maximum stiffness is due to surprisingly shortened chains, the sudden drop in elastic stiffness of the mixture packings, at ν ≈ 0.4, is associated with chains of particles that include both glass and rubber particles (soft chains); for ν ≲ 0.3, the dominant chains include only glass particles (hard chains). At the drop, ν ≈ 0.4, the coordination number of glass and rubber networks is approximately four and three, respectively, i.e., neither of the networks are jammed, and the chains need to include particles from another species to propagate information.

An instrument for studying granular media in low-gravity environment.

A new experimental facility has been designed and constructed to study driven granular media in a low-gravity environment. This versatile instrument, fully automatized, with a modular design based on several interchangeable experimental cells, allows us to investigate research topics ranging from dilute to dense regimes of granular media such as granular gas, segregation, convection, sound propagation, jamming, and rheology-all without the disturbance by gravitational stresses active on Earth. Here, we present the main parameters, protocols, and performance characteristics of the instrument. The current scientific objectives are then briefly described and, as a proof of concept, some first selected results obtained in low gravity during parabolic flight campaigns are presented.

Forced axial segregation in axially inhomogeneous rotating systems.

Controlling segregation is both a practical and a theoretical challenge. Using a novel drum design comprising concave and convex geometry, we explore, through the application of both discrete particle simulations and positron emission particle tracking, a means by which radial size segregation may be used to drive axial segregation, resulting in an order of magnitude increase in the rate of separation. The inhomogeneous drum geometry explored also allows the direction of axial segregation within a binary granular bed to be controlled, with a stable, two-band segregation pattern being reliably and reproducibly imposed on the bed for a variety of differing system parameters. This strong banding is observed to persist even in systems that are highly constrained in the axial direction, where such segregation would not normally occur. These findings, and the explanations provided of their underlying mechanisms, could lead to radical new designs for a broad range of particle processing applications but also may potentially prove useful for medical and microflow applications.

Mesoscale dynamic coupling of finite- and discrete-element methods for fluid-particle interactions.

A new method for two-way fluid-particle coupling on an unstructured mesoscopically coarse mesh is presented. In this approach, we combine a (higher order) finite-element method (FEM) on the moving mesh for the fluid with a soft sphere discrete-element method for the particles. The novel feature of the proposed scheme is that the FEM mesh is a dynamic Delaunay triangulation based on the positions of the moving particles. Thus, the mesh can be multi-purpose: it provides (i) a framework for the discretization of the Navier-Stokes equations, (ii) a simple tool for detecting contacts between moving particles, (iii) a basis for coarse-graining or upscaling, and (iv) coupling with other physical fields (temperature, electromagnetic, etc.). This approach is suitable for a wide range of dilute and dense particulate flows, because the mesh resolution adapts with particle density in a given region. Two-way momentum exchange is implemented using semi-empirical drag laws akin to other popular approaches; for example, the discrete particle method, where a finite-volume solver on a coarser, fixed grid is used. We validate the methodology with several basic test cases, including single- and double-particle settling with analytical and empirical expectations, and flow through ordered and random porous media, when compared against finely resolved FEM simulations of flow through fixed arrays of particles.

Regime transitions of granular flow in a shear cell: a micromechanical study.

The regime transitions of granular flow in a model shear cell are investigated numerically with a stress-controlled boundary condition. The correlations between the elastically and kinetically scaled stresses and the packing fraction are examined, and two packing fractions (0.58 and 0.50) are identified for the quasistatic to intermediate and intermediate to inertial regime transitions. The profiles and structures of contact networks and force chains among particles in different flow regimes are investigated. It is shown that the connectivity (coordination number) among particles and the homogeneity in the shear flow increase as the system goes through the inertial, intermediate, and then quasistatic regimes, and there is only little variation in the internal structure after the system has entered the quasistatic regime. Short-range force chains start to appear in the inertial regime, which also depend on the magnitude of the shear rate. The percolation of system-spanning force chains through the whole system is a characteristic of the onset of the quasistatic regime, which happens at a packing fraction that is close to the glass transition, i.e., about random loose packing (0.58) but far below the isotropic quasistatic (athermal) jamming packing fraction of random close packing (0.64). The tails of the probability density distribution P(f) of the scaled normal contact forces for the flows in different regimes are quantified by a stretched exponential P(f)=exp(-cf^{n}) with a remarkable finding that n ∼ 1.1 may be a potential demarcation point separating the quasistatic regime and the inertial or intermediate regimes.

A study of the anisotropy of stress in a fluid confined in a nanochannel.

We present molecular dynamics simulations of planar Poiseuille flow of a Lennard-Jones fluid at various temperatures and body forces. Local thermostatting is used close to the walls to reach steady-state up to a limit body force. Macroscopic fields are obtained from microscopic data by time- and space-averaging and smoothing the data with a self-consistent coarse-graining method based on kernel interpolation. Two phenomena make the system interesting: (i) strongly confined fluids show layering, i.e., strong oscillations in density near the walls, and (ii) the stress deviates from the Newtonian fluid assumption, not only in the layered regime, but also much further away from the walls. Various scalar, vectorial, and tensorial fields are analyzed and related to each other in order to understand better the effects of both the inhomogeneous density and the anisotropy on the flow behavior and rheology. The eigenvalues and eigendirections of the stress tensor are used to quantify the anisotropy in stress and form the basis of a newly proposed objective, inherently anisotropic constitutive model that allows for non-collinear stress and strain gradient by construction.

Exploiting pattern transformation to tune phononic band gaps in a two-dimensional granular crystal.

The band structure of a two-dimensional granular crystal composed of silicone rubber and polytetrafluoroethylene (PTFE) cylinders is investigated numerically. This system was previously shown to undergo a pattern transformation with uniaxial compression by Göncü et al. [Soft Matter 7, 2321 (2011)]. The dispersion relations of the crystal are computed at different levels of deformation to demonstrate the tunability of the band structure, which is strongly affected by the pattern transformation that induces new band gaps. Replacement of PTFE particles with rubber ones reveals that the change of the band structure is essentially governed by pattern transformation rather than particles' mechanical properties.

Equation of state and jamming density for equivalent bi- and polydisperse, smooth, hard sphere systems.

We study bi- and polydisperse mixtures of hard sphere fluids with extreme size ratios up to 100. Simulation results are compared with previously found analytical equations of state by looking at the compressibility factor, Z, and agreement is found with much better than 1% deviation in the fluid regime. A slightly improved empirical correction to Z is proposed. When the density is further increased, excluded volume becomes important, but there is still a close relationship between many-component mixtures and their binary, two-component equivalents (which are defined on basis of the first three moments of the size distribution). Furthermore, we determine the size ratios for which the liquid-solid transition exhibits crystalline, amorphous or mixed system structure. Near the jamming density, Z is independent of the size distribution and follows a -1 power law as function of the difference from the jamming density (Z → ∞). In this limit, Z depends only on one free parameter, the jamming density itself, as reported for several different size distributions with a wide range of widths.

A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel.

The viscosity-temperature relation is determined for the water models SPC/E, TIP4P, TIP4P/Ew, and TIP4P/2005 by considering Poiseuille flow inside a nano-channel using molecular dynamics. The viscosity is determined by fitting the resulting velocity profile (away from the walls) to the continuum solution for a Newtonian fluid and then compared to experimental values. The results show that the TIP4P/2005 model gives the best prediction of the viscosity for the complete range of temperatures for liquid water, and thus it is the preferred water model of these considered here for simulations where the magnitude of viscosity is crucial. On the other hand, with the TIP4P model, the viscosity is severely underpredicted, and overall the model performed worst, whereas the SPC/E and TIP4P/Ew models perform moderately.

Stress, strain, and bulk microstructure in a cohesive powder.

Spin-echo small-angle neutron scattering is able to characterize powders in terms of their density-density correlation function. Here we present a microstructural study on a fine cohesive powder undergoing uniaxial compression. As a function of compression, we measure the autocorrelation function of the density distribution. From these measurements we quantify the typical sizes of the heterogeneities as well as the fractal nature of the powder packing. The fractal dimension increases with increasing stress, creating a more space-filling structure with rougher phase boundaries. The microscopic stress-strain relation showed the same nonlinear behavior as the macroscopic relation. In this way it was possible to link the macroscopic mechanical response with the evolution of microstructure inside the bulk of the cohesive powder. The total macroscopic compressive strain is in agreement with a corresponding decrease in microstructural length scales.

Sound wave propagation in weakly polydisperse granular materials.

Dynamic simulations of wave propagation are performed in dense granular media with a narrow polydisperse size-distribution and a linear contact-force law. A small perturbation is created on one side of a static packing and its propagation, for both P- and S-waves, is examined. A size variation comparable to the typical contact deformation already changes sound propagation considerably. The transmission spectrum becomes discontinuous, i.e., a lower frequency band is transmitted well, while higher frequencies are not, possibly due to attenuation and scattering. This behaviour is qualitatively reproduced for (i) Hertz non-linear contacts, for (ii) frictional contacts, (iii) for a range of smaller amplitudes, or (iv) for larger systems. This proves that the observed wave propagation and dispersion behaviour is intrinsic and not just an artifact of (i) a linear model, (ii) a frictionless packing, (iii) a large amplitude non-linear wave, or (iv) a finite size effect.

Jamming transition in granular systems.

Recent simulations have predicted that near jamming for collections of spherical particles, there will be a discontinuous increase in the mean contact number Z at a critical volume fraction phi(c). Above phi(c), Z and the pressure P are predicted to increase as power laws in phi-phi(c). In experiments using photoelastic disks we corroborate a rapid increase in Z at phi(c) and power-law behavior above phi(c) for Z and P. Specifically we find a power-law increase as a function of phi-phi(c) for Z-Z(c) with an exponent beta around 0.5, and for P with an exponent psi around 1.1. These exponents are in good agreement with simulations. We also find reasonable agreement with a recent mean-field theory for frictionless particles.

Role of anisotropy in the elastoplastic response of a polygonal packing.

We study the effect of the anisotropy induced by loading on the elastoplastic response of a two dimensional discrete element model granular material. The anisotropy of the contact network leads to a breakdown of the linear isotropic elasticity. We report on a linear dependence of the Young moduli and Poisson ratios on the fabric coefficients, measuring the anisotropy of the contact network. The resulting nonassociated plastic flow rule and the linear relationship between dilatancy and stress ratio are discussed in terms of several existing models. We propose a paradigm for understanding soil plasticity, based on the correlation between the plastic flow rule and the induced anisotropy on the subnetwork of sliding contacts.

Cluster growth in two- and three-dimensional granular gases.

Dissipation in granular media leads to interesting phenomena such as cluster formation and crystallization in nonequilibrium dynamical states. The freely cooling system is examined concerning the energy decay and the cluster evolution in time, both in two and three dimensions. We also suggest an interpretation of the three-dimensional cluster growth in terms of percolation theory, but this point deserves further study.

Comparing simulation and experiment of a 2D granular Couette shear device.

We present experiments along with molecular-dynamics (MD) simulations of a two-dimensional (2D) granular material in a Couette cell undergoing slow shearing. The grains are disks confined between an inner, rotating wheel and a fixed outer ring. The simulation results are compared to experimental studies and quantitative agreement is found. Tracking the positions and orientations of individual particles allows us to obtain density distributions, velocity and particle rotation rates for the system. The key issue of this paper is to show the extent to which quantitative agreement between an experiment and MD simulations is possible. Besides many differences in model details and the experiment, the qualitative features are nicely reproduced. We discuss the quantitative agreement/disagreement, give possible reasons, and outline further research perspectives.

Footprints in sand: the response of a granular material to local perturbations.

We experimentally determine ensemble-averaged responses of granular packings to point forces, and we compare these results to recent models for force propagation in a granular material. We use 2D granular arrays consisting of photoelastic particles: either disks or pentagons, thus spanning the range from ordered to disordered packings. A key finding is that spatial ordering of the particles is a key factor in the force response. Ordered packings have a propagative component that does not occur in disordered packings.

Reverse Brazil nut problem: competition between percolation and condensation.

In the Brazil nut problem (BNP), hard spheres with larger diameters rise to the top. There are various explanations (percolation, reorganization, convection), but a broad understanding or control of this effect is by no means achieved. A theory is presented for the crossover from BNP to the reverse Brazil nut problem based on a competition between the percolation effect and the condensation of hard spheres. The crossover condition is determined, and theoretical predictions are compared to molecular dynamics simulations in two and three dimensions.

Global equation of state of two-dimensional hard sphere systems.

Hard sphere systems in two dimensions are examined for arbitrary density. Simulation results are compared to the theoretical predictions for both the low- and the high-density limit, where the system is either disordered or ordered, respectively. The pressure in the system increases with the density, except for an intermediate range of volume fractions 0.65< or =nu< or =0.75, where a disorder-order phase transition occurs. The proposed global equation of state (which describes the pressure for all densities) is applied to the situation of an extremely dense hard sphere gas in a gravitational field and shows reasonable agreement with both experimental and numerical data.

Two-dimensional granular gas of inelastic spheres with multiplicative driving.

We study a two-dimensional granular gas of inelastic spheres subject to multiplicative driving proportional to a power |v(x)|(delta) of the local particle velocity v(x). The steady state properties of the model are examined for different values of delta, and compared with the homogeneous case delta = 0. A driving linearly proportional to v(x) seems to reproduce some experimental observations which could not be reproduced by a homogeneous driving. Furthermore, we obtain that the system can be homogenized even for strong dissipation, if a driving inversely proportional to the velocity is used.

Cluster-growth in freely cooling granular media.

When dissipative particles are left alone, their fluctuation energy decays due to collisional interactions, clusters build up and grow with time until the system size is reached. When the effective dissipation is strong enough, this may lead to the "inelastic collapse," i.e., the divergence of the collision frequency of some particles. The cluster growth is an interesting physical phenomenon, whereas the inelastic collapse is an intrinsic effect of the inelastic hard sphere (IHS) model used to study the cluster growth-involving only a negligible number of particles in the system. Here, we extend the IHS model by introducing an elastic contact energy and the related contact duration t(c). This avoids the inelastic collapse and allows to examine the long-time behavior of the system. For a quantitative description of the cluster growth, we propose a burning-like algorithm in continuous space, that readily identifies all particles that belong to the same cluster. The criterion for this is here chosen to be only the particle distance. With this method we identify three regimes of behavior. First, for short times a homogeneous cooling state (HCS) exists, where a mean-field theory works nicely, and the clusters are tiny and grow very slowly. Second, at a certain time which depends on the system's properties, cluster growth starts and the clusters increase in size and mass until, in the third regime, the system size is reached and most of the particles are collected in one huge cluster. (c) 1999 American Institute of Physics.