We introduce an event-driven simulation scheme for overdamped dynamics of frictionless hard spheres subjected to external forces, neglecting hydrodynamic interactions. Our event-driven approach is based on an exact equation of motion which relates the driving force to the resulting velocities through the geometric information characterizing the underlying network of contacts between the hard spheres. Our method allows for a robust extraction of the instantaneous coordination of the particles as well as contact force statistics and dynamics, under any chosen driving force, in addition to shear flow and compression. It can also be used for generating high-precision jammed packings under shear, compression, or both. We present a number of additional applications of our method.
We investigate the criticality of the jamming transition for overdamped shear-driven frictionless disks in two dimensions for two different models of energy dissipation: (i) Durian's bubble model with dissipation proportional to the velocity difference of particles in contact, and (ii) Durian's "mean-field" approximation to (i), with dissipation due to the velocity difference between the particle and the average uniform shear flow velocity. By considering velocity correlations, finite-size behavior of pressure, and the pressure analog of viscosity, we argue that these two models share the same…
We use numerical simulations to study the shear-driven steady-state flow of athermal, frictionless, overdamped, two dimensional cross-shaped particles of varying aspect ratios, and make comparison with the behavior of rod-shaped and staple-shaped particles. We find that the extent of non-convexity of the particle shape plays an important role in determining both the value of the jamming packing fraction as well as the rotational motion and orientational ordering of the particles.
We use numerical simulations to investigate the effect of different dissipative models on the shearing rheology of massive soft-core frictionless disks in two dimensions. We show that the presence of Newtonian (overdamped) vs Bagnoldian (inertial) rheology is related to the formation of large connected clusters of disks, and that sharp transitions may exist between the two as system parameters vary. In the limit of strongly inelastic collisions, we find that rheological curves collapse to a well-defined limit when plotted against an appropriate dimensionless strain rate.
We measure the two-point density correlations and Voronoi cell distributions of cyclically sheared granular spheres obtained with a fluorescence technique and compare them with random packing of frictionless spheres. We find that the radial distribution function $g(r)$ is captured by the Percus-Yevick equation for initial volume fraction $ϕ=0.59$. However, small but systematic deviations are observed because of the splitting of the second peak as $ϕ$ is increased towards random close packing. The distribution of the Voronoi free volumes deviates from postulated $Γ$ distributions, and the orien…
We study static packings of frictionless and frictional spheres in three dimensions, obtained via molecular dynamics simulations, in which we vary particle hardness, friction coefficient, and coefficient of restitution. Although frictionless packings of hard-spheres are always isostatic (with six contacts) regardless of construction history and restitution coefficient, frictional packings achieve a multitude of hyperstatic packings that depend on system parameters and construction history. Instead of immediately dropping to four, the coordination number reduces smoothly from $z=6$ as the frict…
At low volume fraction, disordered arrangements of frictionless spheres are found in un--jammed states unable to support applied stresses, while at high volume fraction they are found in jammed states with mechanical strength. Here we show, focusing on the hard sphere zero pressure limit, that the transition between un-jammed and jammed states does not occur at a single value of the volume fraction, but in a whole volume fraction range. This result is obtained via the direct numerical construction of disordered jammed states with a volume fraction varying between two limits, $0.636$ and $0.646…
We study numerically the critical behavior and marginal stability of the shear jamming transition for frictionless soft spheres, observed to occur over a finite range of densities, associated with isotropic jamming for densities above the minimum jamming (J-point) density. Several quantities are shown to scale near the shear jamming point in the same way as the isotropic jamming point. We compute the exponents associated with the small force distribution and the interparticle gap distribution,and show that the corresponding exponents are consistent with the marginal stability condition observe…
We model the packing structure of a marginally jammed bulk ensemble of polydisperse spheres using an extended granocentric mode explicitly taking into account rattlers. This leads to a relation- ship between the characteristic parameters of the packing, such as the mean number of neighbors and the fraction of rattlers, and the radial distribution function g(r). We find excellent agreement between the model predictions for g(r) and packing simulations as well as experiments on jammed emulsion droplets. The observed quantitative agreement opens the path towards a full structural characterization…
We consider the contribution to the density of vibrational states and the distribution of energy barrier heights of incipient instabilities in a glass modeled by a jammed packing of spheres. On approaching an instability, the frequency of a normal mode and the height of the energy barrier to cross into a new ground state both vanish. These instabilities produce a contribution to the density of vibrational states that scales as $ω^3$ at low frequencies $ω$, but which vanishes in the thermodynamic limit. In addition, they affect an anharmonic property, the distribution of energy barriers $ΔH$, g…
We consider a random aggregate of identical frictionless elastic spheres that has first been subjected to an isotropic compression and then sheared. We assume that the average strain provides a good description of how stress is built up in the initial isotropic compression. However, when calculating the increment in the displacement between a typical pair of contaction particles due to the shearing, we employ force equilibrium for the particles of the pair, assuming that the average strain provides a good approximation for their interactions with their neighbors. The incorporation of these add…
We study numerically the influence of confinement on the solid fraction and on the structure of three-dimensional random close packed (RCP) granular materials subject to gravity. The effects of grain shape (spherical or polyhedral), material polydispersity and confining wall friction on this dependence are investigated. In agreement with a simple geometrical model, the solid fraction is found to decrease linearly for increasing confinement no matter the grain shape. Furthermore, this decrease remains valid for bidisperse sphere packings although the gradient seems to reduce significantly when …
By means of numerical simulations, we study the influence of confinement on three-dimensional random close packed (RCP) granular materials subject to gravity. The effects of grain shape (spherical or polyhedral) and polydispersity on this dependence are investigated. In agreement with a simple geometrical model, the solid fraction is found to decrease linearly for increasing confinement no matter the grain shape. This decrease remains valid for bidisperse sphere packings although the gradient seems to reduce significantly when the proportion of small particles reaches 40% by volume. The aforem…
Understanding the collisional outcomes of dust aggregates and dependence on material properties of the constituting particles is of great importance toward understanding planet formation. Recent numerical simulations have revealed that interparticle tangential friction plays a crucial role in energy dissipation during collisions between porous dust aggregates; however, the importance of friction on the collisional growth of dust aggregates remains poorly understood. Here we demonstrate the effects of interparticle tangential friction on the collisional growth of dust aggregates. We performed n…
We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary cond…
We study numerically a system of athermal, overdamped, frictionless spheres, as in a non-Brownian suspension, in two and three dimensions. Compressing the system isotropically at a fixed rate $\dotε$, we investigate the critical behavior at the jamming transition. The finite compression rate introduces a control timescale, which allows one to probe the critical timescale associated with jamming. As was found previously for steady-state shear-driven jamming, we find for compression-driven jamming that pressure obeys a critical scaling relation as a function of packing fraction $ϕ$ and compressi…
We numerically study a three dimensional system of athermal, overdamped, frictionless spheres, using a simplified model for a non-Brownian suspension. We compute the bulk viscosity under both uniaxial and isotropic compression as a means to address the question of whether stress-anisotropic and stress-isotropic jamming are in the same critical universality class. Carrying out a critical scaling analysis of the system pressure $p$, shear stress $σ$, and macroscopic friction $μ=σ/p$, as functions of particle packing fraction $ϕ$ and compression rate $\dotε$, we find good agreement for all critic…
By minimizing a thermodynamic-like potential, we unbiasedly sample the potential energy landscape of soft and frictionless spheres under constant shear stress. We obtain zero-temperature jammed states under desired shear stresses and investigate their mechanical properties as a function of the shear stress. As a comparison, we also obtain jammed states from the quasistatic-shear sampling in which the shear stress is not well-controlled. Although the yield stresses determined by both samplings show the same power-law scaling with the compression from point $J$, i.e.~the jamming transition point…
We have studied the contact network properties of two and three dimensional polydisperse, frictionless sphere packings at the random closed packing density through simulations. We observe universal correlations between particle size and contact number that are independent of the polydispersity of the packing. This allows us to formulate a mean field version of the granocentric model to predict the contact number distribution P(z). We find the predictions to be in good agreement with a wide range of discrete and continuous size distributions. The values of the two parameters that appear in the …
Solitons are commonly known as waves that propagate without dispersion. Here we show that they can occur for driven overdamped Brownian dynamics of hard spheres in periodic potentials at high densities. The solitons manifest themselves as periodic sequences of different assemblies of particles moving in the limit of zero noise, where transport of single particles is not possible. They give rise to particle currents at even low temperature that appear in band-like structures around certain hard-sphere diameters. At high temperatures, the band-like structures are washed out by the noise, but the…
The formation of self-organised structures that resist shear deformation have been discussed in the context of shear jamming and thickening[1-3], with frictional forces playing a key role. However, shear induces geometric features necessary for jamming even in frictionless packings[4]. We analyse conditions for jamming in such assemblies by solving force and torque balance conditions for their contact geometry. We demonstrate, and validate with frictional simulations, that the isostatic condition for mean contact number Z = D + 1 (for spatial dimension D = 2, 3) holds at jamming for both finit…
While frictionless spheres at jamming are isostatic, frictional spheres at jamming are not. As a result, frictional spheres near jamming do not necessarily exhibit an excess of soft modes. However, a generalized form of isostaticity can be introduced if fully mobilized contacts at the Coulomb friction threshold are considered as slipping contacts. We show here that, in this framework, the vibrational density of states (DOS) of frictional discs exhibits a plateau when the generalized isostaticity line is approached. The crossover frequency to elastic behavior scales linearly with the distance f…
Using the generalized Langevin equation formalism and the process of contraction of the description we derive a general memory function equation for the thermal fluctuations of the local density of a simple atomic liquid. From the analysis of the long-time limit of this equation, a striking equivalence is suggested between the long-time dynamics of the atomic liquid and the dynamics of the corresponding \emph{Brownian} liquid. This dynamic equivalence is confirmed here by comparing molecular and Brownian dynamics simulations of the self-intermediate scattering function and the long-time self-d…
Particles in granular flows are often modeled as frictionless (smooth) inelastic spheres; however, there exist no frictionless grains, just as there are no elastic grains. Our molecular dynamics simulations reveal that friction is essential for realistic modeling of vertically oscillated granular layers: simulations of frictionless particles yield patterns with an onset at a container acceleration about 30% smaller than that observed in experiments and simulations with friction. More importantly, even though square and hexagonal patterns form for a wide range of the oscillation parameters in e…
What particle shape will generate the highest packing fraction when randomly poured into a container? In order to explore and navigate the enormous search space efficiently, we pair molecular dynamics simulations with artificial evolution. Arbitrary particle shape is represented by a set of overlapping spheres of varying diameter, enabling us to approximate smooth surfaces with a resolution proportional to the number of spheres included. We discover a family of planar triangular particles, whose packing fraction of $ϕ\sim$ 0.73 outpaces almost all reported experimental results for random packi…
Recent studies show that volume fractions $\phiJ$ at the jamming transition of frictionless hard spheres and discs are not uniquely determined but exist over a continuous range. Motivated by this observation, we numerically investigate dependence of $\phiJ$ on the initial configurations of the parent fluids equilibrated at a fraction $\phiini$, before compressing to generate a jammed packing. We find that $\phiJ$ remains constant when $\phiini$ is small but sharply increases when $\phiini$ exceeds the dynamic transition point which the mode-coupling theory predicts. We carefully analyze config…
We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay of correlation shells, and shell drift. Comparison to results for the Lennard-Jones system indicates the generality of these mechanisms for dense overdamped liquids. We use dynamical density functional theory on the basis of the Rosenfeld functional with self interaction correction. Superadiabatic forces are analysed using a recent power functional approximat…
A mechanically-based structural optimization method is utilized to explore the phenomena of jamming for assemblies of frictionless Platonic solids. Systems of these regular convex polyhedra exhibit mechanically stable phases with density substantially less than optimal for a given shape, revealing that thermal motion is necessary to access high density phases. We confirm that the large system jamming threshold of $0.623 \pm 0.003$ for tetrahedra is consistent with experiments on tetrahedral dice. Also, the extremely short-ranged translational correlations of packed tetrahedra observed in exper…
We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove function by means of dynamical density functional theory (DDFT). The free energy model for the hard sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self part of the van Hove function a non-trivial modification has to be applied to the free energy functional. We compare our theoretical…
Standard algorithms for the numerical integration of the Langevin equation require that interactions are slowly varying during to the integration timestep. This in not the case for hard-body systems, where there is no clearcut between the correlation time of the noise and the timescale of the interactions. Starting from a short time approximation of the Smoluchowsky equation, we introduce an algorithm for the simulation of the overdamped Brownian dynamics of polydisperse hard-spheres in absence of hydrodynamics interactions and briefly discuss the extension to the case of external drifts.
Discontinuous shear thickening (DST) observed in many dense athermal suspensions has proven difficult to understand and to reproduce by numerical simulation. By introducing a numerical scheme including both relevant hydrodynamic interactions and granularlike contacts, we show that contact friction is essential for having DST. Above a critical volume fraction, we observe the existence of two states: a low viscosity, contactless (hence, frictionless) state, and a high viscosity frictional shear jammed state. These two states are separated by a critical shear stress, associated with a critical sh…
Starting from a microscopic model of self-propelled hard spheres we use tools of non-equilibrium statistical mechanics and the kinetic theory of hard spheres to derive a Smoluchowski equation for interacting Active Brownian particles. We illustrate the utility of the statistical mechanics framework developed with two applications. First, we derive the steady state pressure of the hard sphere active fluid in terms of the microscopic parameters and second, we identify the critical density for the onset of motility-induced phase separation in this system. We show that both these quantities agree …
We study theoretically and numerically how hard frictionless particles in random packings can rearrange. We demonstrate the existence of two distinct unstable non-linear modes of rearrangement, both associated with the opening and the closing of contacts. Mode one, whose density is characterized by some exponent θ', corresponds to motions of particles extending throughout the entire system. Mode two, whose density is characterized by an exponent θ != θ', corresponds to the local buckling of a few particles. Mode one is shown to yield at a much higher rate than mode two when a stress is applied…
Diffusion in bidisperse Brownian hard-sphere suspensions is studied by Stokesian Dynamics (SD) computer simulations and a semi-analytical theoretical scheme for colloidal short-time dynamics, based on Beenakker and Mazur's method [Physica 120A, 388 (1983) & 126A, 349 (1984)]. Two species of hard spheres are suspended in an overdamped viscous solvent that mediates the salient hydrodynamic interactions among all particles. In a comprehensive parameter scan that covers various packing fractions and suspension compositions, we employ numerically accurate SD simulations to compute the initial diffu…
Assemblies of purely repulsive and frictionless particles, such as emulsions or hard spheres, display very curious properties near their jamming transition, which occurs at the random close packing for mono-disperse spheres. Although such systems do not contain the long and cross-linked polymeric chains characterizing a rubber, they behave macroscopically in a similar way: the shear modulus $G$ can become infinitely smaller than the bulk modulus $B$. After reviewing recent theoretical results on the structure of such packing (in particular their coordination) I will propose an explanation for …
We numerically study the relaxation dynamics and associated criticality of non-Brownian frictionless spheres below jamming in spatial dimensions $d=2$, $3$, $4$, and $8$, and in the mean-field Mari-Kurchan model. We discover non-trivial finite-size and volume fraction dependences of the relaxation time associated to the relaxation of unjammed packings. In particular, the relaxation time is shown to diverge logarithmically with system size at any density below jamming, and no critical exponent can characterise its behaviour approaching jamming. In mean-field, the relaxation time is instead well…
In the technique of microrheology, macroscopic rheological parameters as well as information about local structure are deduced from the behavior of microscopic probe particles under thermal or active forcing. Microrheology requires knowledge of the relation between macroscopic parameters and the force felt by a particle in response to displacements. We investigate this response function for a spherical particle using the two-fluid model, in which the gel is represented by a polymer network coupled to a surrounding solvent via a drag force. We obtain an analytic solution for the response functi…
The origin of the abrupt shear thickening observed in some dense suspensions has been recently argued to be a transition from frictionless (lubricated) to frictional interactions between immersed particles. The Wyart-Cates rheological model, built on this scenario, introduced the concept of fraction of frictional contacts $f$ as the relevant order parameter for the shear thickening transition. Central to the model is the "equation-of-state" relating $f$ to the applied stress $σ$, which is directly linked to the distribution of the normal components of non-hydrodynamics interparticle forces. He…
We study shock formation in vertically oscillated granular layers, using both molecular dynamics simulations and numerical solutions of continuum equations to Navier-Stokes order. A flat layer of grains is thrown up from an oscillating plate during each oscillation cycle and collides with the plate later in the cycle. The collisions produce layer compaction near the plate and a high temperature shock front that rapidly propagates upward through the layer. The shock is highly time-dependent, propagating through the layer in only a quarter of the cycle. We compare numerical solutions of the cont…
Force chain networks are generally applied in granular materials to gain insight into inter-particle granular contact. For conservative spherical particle systems, i.e. frictionless and undamped, force chains are information complete due to symmetries resulting from isotropy and constant curvature of a sphere. In fact, for conservative spherical particle systems, given the geometry and material, the force chain network uniquely defines the contact state that includes elastic forces, penetration distance, overlap volume, contact areas and contact pressures in a particle system. This is, however…
The dynamics of dissipative soft-sphere gases obeys Newton's equation of motion which are commonly solved numerically by (force-based) Molecular Dynamics schemes. With the assumption of instantaneous, pairwise collisions, the simulation can be accelerated considerably using event-driven Molecular Dynamics, where the coefficient of restitution is derived from the interaction force between particles. Recently it was shown, however, that this approach may fail dramatically, that is, the obtained trajectories deviate significantly from the ones predicted by Newton's equations. In this paper, we ge…
The slow dynamics in a glassy hard-sphere system is dominated by cage breaking events, i.e., rearrangements where a particle escapes from the cage formed by its neighboring particles. We study such events for an overdamped colloidal system by the means of Brownian dynamics simulations. While it is difficult to relate cage breaking events to structural mean field results in bulk, we show that the microscopic dynamics of particles close to a wall can be related to the anisotropic two-particle density. In particular, we study cage-breaking trajectories, mean forces on a tracked particle, and the …
