Microstructural dynamics in amorphous particle packings is commonly probed by quantifying particle displacements. While rigidity in particle packings emerges when displacement of particles are hindered, it is not obvious how the typically disordered displacement metrics connect to mechanical response. Particle rotations, in contrast, are much less sensitive to confinement effects, while still sensitive to the mechanics of the packing. So far, little attention has been paid to connect microscopic rotational motion to mechanics of athermal amorphous packings. We demonstrate through experimental measurements that particle packing mechanics can be directly linked to the rotational motion of even round particles in a sheared packing. Our results show that the diffusive nature of rotational dynamics is highly strain sensitive. Additionally, there is substantial spatial correlation in rotation dynamics that is a function of the particle friction and packing density. Analysis of our measurements reveals that particle rotation dynamics plays an essential role in amorphous material mechanics.
Mechanically stable sphere packings are generated in three-dimensional space using the discrete element method, which span a wide range in structural order, ranging from fully amorphous to quasi-ordered structures, as characterized by the bond orientational order parameter. As the packing pressure, $p$, varies from the marginally rigid limit at the jamming transition ($p \approx 0$) to that of more robust systems ($p \gg 0$), the coordination number, $z$, follows a familiar scaling relation with pressure, namely, $Δz = z - z_c \sim p^{1/2}$, where $z_c = 2d = 6$ ($d=3$ is the spatial dimension…
The structure of the densest crystal packings is determined for a variety of concave shapes in 2D constructed by the overlap of two or three disks. The maximum contact number per particle pair is defined and proposed as a useful means of categorizing particle shape. We demonstrate that the densest packed crystal exhibits a maximum in the number of contacts per particle but does not necessarily include particle pairs with the maximum contact number. In contrast, amorphous structures, generated by energy minimization of high temperature liquids, typically do include maximum contact pairs. The am…
Shearing granular materials induces non-affine displacements. Such non-affine displacements have been studied extensively, and are known to correlate with plasticity and other mechanical features of amorphous packings. A well known example is shear transformation zones as captured by the local deviation from affine deformation, $D^2_{min}$, and their relevance to failure and stress fluctuations. We analyze sheared frictional athermal disk packings and show that there exists at least one additional mesoscopic transport mechanism that superimposes itself on top of local diffusive motion. We evid…
The aim of this paper is to review and discuss qualitatively some results on the properties of amorphous packings of hard spheres that were recently obtained by means of the replica method. The theory gives predictions for the equation of state of the glass, the complexity of the metastable states, the scaling of the pressure close to jamming, the coordination of the packing and the pair correlation function in any space dimension d. The predictions compare very well with numerical simulations in d=3 and somehow also in d=2. The asymptotic predictions for d->oo are within the rigorous bounds. …
The channel size distribution in hard sphere systems, based on the local neighbor correlation of four particle positions, is investigated for all volume fractions up to jamming. For each particle, all three particle combinations of neighbors define channels, which are relevant for the concept of caging. The analysis of the channel size distribution is shown to be very useful in distinguishing between gaseous, liquid, partially and fully crystallized, and glassy (random) jammed states. A common microstructural feature of four coplanar particles is observed in crystalline and glassy jammed state…
The close packing density of log-normal and bimodal distributed, surface-adsorbed particles or discs in 2D is studied by numerical simulation. For small spread in particle size, the system orders in a polycrystalline structure of hexagonal domains. The domain size and the packing density both decrease as the spread in particle size is increased up to 10.5+/-0.5%. From this point onwards the system becomes amorphous, and the close packing density increases again with spread in particle size. We argue that the polycrystalline and amorphous regions are separated by a Kosterlitz-Thouless-type phas…
It has been recently pointed out by Farr and Groot (arXiv:0912.0852) and by Kyrylyuk and Philipse (Prog. Colloid Polym. Sci., 2010, in press) that our theoretical result for the jamming density of a binary mixture of hard spheres (arXiv:0903.5099) apparently violates an upper bound that is obtained by considering the limit where the diameter ratio r = DA/DB goes to infinity. We believe that this apparent contradiction is the consequence of a misunderstanding, which we try to clarify here.
We examine the regime between crystalline and amorphous packings of anisotropic objects on surfaces of different genus by continuously varying their size distribution or shape from monodispersed spheres to bidispersed mixtures or monodispersed ellipsoidal particles; we also consider an anisotropic variant of the Thomson problem with a mixture of charges. With increasing anisotropy, we first observe the disruption of translational order with an intermediate orientationally ordered hexatic phase as proposed by Nelson, Rubinstein and Spaepen, and then a transition to amorphous state. By analyzing…
In particulate systems with short-range interactions, such as granular matter or simple fluids, local structure plays a pivotal role in determining the macroscopic physical properties. Here, we analyse local structure metrics derived from the Voronoi diagram of configurations of oblate ellipsoids, for various aspect ratios $α$ and global volume fractions $ϕ_g$. We focus on jammed static configurations of frictional ellipsoids, obtained by tomographic imaging and by discrete element method simulations. In particular, we consider the local packing fraction $ϕ_l$, defined as the particle's volume…
Structural defects within amorphous packings of symmetric particles can be characterized using a machine learning approach that incorporates structure functions of radial distances and angular arrangement. This yields a scalar field, \emph{softness}, that correlates with the probability that a particle is about to rearrange. However, when particle shapes are elongated, as in the case of dimers and ellipses, we find the standard structure functions produce imprecise softness measurements. Moreover, ellipses exhibit deformation profiles in stark contrast to circular particles. In order to accoun…
We relate the structure factor $S(\mathbf{k} \to \mathbf{0})$ in a system of jammed hard spheres of number density $ρ$ to its complexity per particle $Σ(ρ)$ by the formula $S(\mathbf{k} \to \mathbf{0})=-1/ [ρ^2Σ''(ρ)+2ρΣ'(ρ)]$. We have verified this formula for the case of jammed disks in a narrow channel, for which it is possible to find $Σ(ρ)$ and $S(\mathbf{k})$ analytically. Hyperuniformity, which is the vanishing of $S(\mathbf{k} \to \mathbf{0})$, will therefore not occur if the complexity is nonzero. An example is given of a jammed state of hard disks in a narrow channel which is hyperun…
We study the vibrational modes of three-dimensional jammed packings of soft ellipsoids of revolution as a function of particle aspect ratio $ε$ and packing fraction. At the jamming transition for ellipsoids, as distinct from the idealized case using spheres where $ε= 1$, there are many unconstrained and non-trivial rotational degrees of freedom. These constitute a set of zero-frequency modes that are gradually mobilized into a new rotational band as $|ε- 1|$ increases. Quite surprisingly, as this new band is separated from zero frequency by a gap, and lies below the onset frequency for transla…
The diffusion and flow of amorphous materials, such as glasses and granular materials, has resisted a simple microscopic description, analogous to defect theories for crystals. Early models were based on either gas-like inelastic collisions or crystal-like vacancy diffusion, but here we propose a cooperative mechanism for dense random-packing dynamics, based on diffusing ``spots'' of interstitial free volume. Simulations with the Spot Model can efficiently generate realistic flowing packings, and yet the model is simple enough for mathematical analysis. Starting from a non-local stochastic dif…
It is shown that vibrated packings of frictional disks self-organize cooperatively onto a rotational-transport state where the long-time angular velocity $\barω_i$ of each disk $i$ is nonzero. Steady rotation is mediated by the spontaneous breaking of local reflection symmetry, arising when the cages in which disks are constrained by their neighbors acquire quenched disorder at large packing densities. Experiments and numerical simulation of this unexpected phenomenon show excellent agreement with each other, revealing two rotational phases as a function of excitation intensity, respectively t…
Amorphous packings prepared in the vicinity of the jamming transition play a central role in theoretical studies of the vibrational spectrum of glasses. Two mean-field theories predict that the vibrational density of states $g(ω)$ obeys a characteristic power law, $g(ω)\simω^2$, called the non-Debye scaling in the low-frequency region. Numerical studies have however reported that this scaling breaks down at low frequencies, due to finite dimensional effects. In this study, we prepare amorphous packings of up to $128000$ particles in spatial dimensions from $d=3$ to $d=9$ to characterise the ra…
We numerically study the local stress distribution within athermal, isotropically stressed, mechanically stable, packings of bidisperse frictionless disks above the jamming transition in two dimensions. Considering the Fourier transform of the local stress, we find evidence for algebraically increasing fluctuations in both isotropic and anisotropic components of the stress tensor at small wavenumbers, contrary to recent theoretical predictions. Such increasing fluctuations imply a lack of self-averaging of the stress on large length scales. The crossover to these increasing fluctuations define…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random packing undergo chain-like collective displacements in response to diffusing "spots" of influence, carrying a slight excess of interstitial free volume. We reconstruct the microscopic dynamics of particles from the "coarse grained" dynamics of spots by introducing a localized particle relaxation step after each spot-induced block displacement, simply to enf…
At the jamming transition, amorphous packings are known to display anomalous vibrational modes with a density of states (DOS) that remains constant at low frequency. The scaling of the DOS at higher densities remains, however, unclear. One might expect to find simple Debye scaling, but recent results from effective medium theory and the exact solution of mean-field models both predict an anomalous, non-Debye scaling. Being mean-field solutions, however, these solutions are only strictly applicable to the limit of infinite spatial dimension, and it is unclear what value they have for finite-dim…
We numerically investigate the mechanical properties of static packings of ellipsoidal particles in 2D and 3D over a range of aspect ratio and compression $Δϕ$. While amorphous packings of spherical particles at jamming onset ($Δϕ=0$) are isostatic and possess the minimum contact number $z_{\rm iso}$ required for them to be collectively jammed, amorphous packings of ellipsoidal particles generally possess fewer contacts than expected for collective jamming ($z < z_{\rm iso}$) from naive counting arguments, which assume that all contacts give rise to linearly independent constraints on interpar…
Jammed particulate systems composed of various shapes of particles undergo the jamming transition as they are compressed or decompressed. To date, sphere packings have been extensively studied in many previous works, where isostaticity at the transition and scaling laws with the pressure of various quantities, including the contact number and the vibrational density of states, have been established. Additionally, much attention has been paid to nonspherical packings, and particularly recent work has made progress in understanding ellipsoidal packings. In the present work, we study the dimer pa…
We study the size-topology relations in random packings of dry adhesive polydisperse microspheres with Gaussian and lognormal size distributions through a geometric tessellation. We find that the dependence of the neighbour number on the centric particle size is always quasilinear, independent of the size distribution, the size span or interparticle adhesion. The average local packing fraction as a function of normalized particle size for different size variances is well regressed on the same profile, which grows to larger values as the relative strength of adhesion decreases. As for the local…
Several mean-field theories predict that Hessian matrices of amorphous solids can be written by using the random matrix in the limit of the large spatial dimensions $d\to\infty$. Motivated by these results, we here propose a way to map a Hessian of the amorphous solid to a random matrix. This is possible by determining the coefficients of a random matrix so that the trace of the random matrix coincides with the Hessian of the original system. We compare our result with that of previous numerical simulations of harmonic spheres in several spatial dimensions $d=3$, $5$, and $9$. For small pressu…
Hard spheres are ubiquitous in condensed matter: they have been used as models for liquids, crystals, colloidal systems, granular systems, and powders. Packings of hard spheres are of even wider interest, as they are related to important problems in information theory, such as digitalization of signals, error correcting codes, and optimization problems. In three dimensions the densest packing of identical hard spheres has been proven to be the FCC lattice, and it is conjectured that the closest packing is ordered (a regular lattice, e.g, a crystal) in low enough dimension. Still, amorphous pac…
Three-dimensional discrete numerical simulation is used to investigate the properties of close-packed frictionless granular assemblies as a function of particle polydispersity and shape. Unlike some experimental results, simulations show that disordered packings of pinacoids (eight-face convex polyhedron) achieve higher solid fraction values than amorphous packings of spherical or rounded particles, thus fulfilling the analogue of Ulam's conjecture stated by Jiao and co-workers for random packings [Y. Jiao and S. Torquato, Phys. Rev. E $\textbf{84}$, $041309$ ($2011$)]. This seeming discrepanc…
Obtaining general relations between macroscopic properties of random assemblies, such as density, and the microscopic properties of their constituent particles, such as shape, is a foundational challenge in the study of amorphous materials. By leveraging existing understanding of the random packing of spherical particles, we estimate the random packing density for all sufficiently spherical shapes. Our method uses the ensemble of random packing configurations of spheres as a reference point for a perturbative calculation, which we carry to linear order in the deformation. A fully analytic calc…
Amorphous systems of soft particles above jamming have more contacts than are needed to achieve mechanical equilibrium. The force network of a granular system with a fixed contact network is thus underdetermined, and can be characterized as a random instantiation within the space of the force network ensemble. In this work, we show that by examining the boundaries of this space of allowed force networks, defect contacts which are not necessary for stability of the system can be uniquely identified. We further show that in the near jamming limit, this identification is nearly always correct and…
Amorphous packings of frictionless, spherical particles are isostatic at jamming onset, with the number of constraints (contacts) equal to the number of degrees of freedom. Their structural and mechanical properties are controlled by the interparticle contact network. In contrast, amorphous packings of frictional particles are typically hyperstatic at jamming onset. We perform extensive numerical simulations in two dimensions of the geometrical asperity (GA) model for static friction, to further investigate the role of isostaticity. In the GA model, interparticle forces are obtained by summing…
The densest amorphous packing of rigid particles is known as random close packing. It has long been appreciated that higher densities are achieved by using collections of particles with a variety of sizes. The variety of sizes is often quantified by the polydispersity of the particle size distribution: the standard deviation of the radius divided by the mean radius. Several prior studies quantified the increase of the packing density as a function of polydispersity. Of course, a particle size distribution is also characterized by its skewness, kurtosis, and higher moments, but the influence of…
Amorphous packings of non-spherical particles such as ellipsoids and spherocylinders are known to be hypostatic: the number of mechanical contacts between particles is smaller than the number of degrees of freedom, thus violating Maxwell's mechanical stability criterion. In this work, we propose a general theory of hypostatic amorphous packings and the associated jamming transition. First, we show that many systems fall into a same universality class. As an example, we explicitly map ellipsoids into a system of `breathing' particles. We show by using a marginal stability argument that in both …
While the rheology of non-Brownian suspensions in the dilute regime is well-understood, their behavior in the dense limit remains mystifying. As the packing fraction of particles increases, particle motion becomes more collective, leading to a growing length scale and scaling properties in the rheology as the material approaches the jamming transition. There is no accepted microscopic description of this phenomenon. However, in recent years it has been understood that the elasticity of simple amorphous solids is governed by a critical point, the unjamming transition where the pressure vanishes…
The process of colloidal drying gives way to particle self-assembly in numerous elds including photonics or biotechnology. Yet, the mechanisms and conditions driving the nal particle arrangement in dry colloidal layers remain elusive. Here, we examine how the drying rate selects the nanostructure of thick dried layers in four dierent suspensions of silica nanospheres. Depending on particle size and dispersity, either an amorphous arrangement, a crystalline arrangement, or a rate-dependent amorphous-to-crystalline transition occurs at the drying surface. Amorphous arrangements are observed in t…
Granular packings display a wealth of mechanical features which are of widespread significance. One of these features is creep: the slow deformation under applied stress. Creep is common for many other amorphous materials such as many metals and polymers. The slow motion of creep is challenging to understand, probe and control. We probe the creep properties of packings of soft spheres with a sinking ball viscometer. We find that in our granular packings, creep persists up to large strains and has a power law form, with diffusive dynamics. The creep amplitude is exponentially dependent on both …
Numerous soft materials jam into an amorphous solid at high packing fraction. This non-equilibrium phase transition is best understood in the context of a model system in which particles repel elastically when they overlap. Recently, however, it was shown that introducing any finite amount of attraction between particles changes the universality class of the transition. The properties of this new ``sticky jamming'' class remain almost entirely unexplored. We use molecular dynamics simulations and scaling analysis to determine the shear modulus, bulk modulus, and coordination of marginal solids…
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…
Characterizing structural inhomogeneity is an essential step in understanding the mechanical response of amorphous materials. We introduce a threshold-free measure based on the field of vectors pointing from the center of each particle to the centroid of the Voronoi cell in which the particle resides. These vectors tend to point in toward regions of high free volume and away from regions of low free volume, reminiscent of sinks and sources in a vector field. We compute the local divergence of these vectors, for which positive values correspond to overpacked regions and negative values identify…
Symmetry Breaking and Energy Dissipation in the Mechanical Response of Amorphous Solids
North University of China（中北大学）；Hangzhou International Innovation Institute, Beihang University（北京航空航天大学杭州创新研究院）；The Weizmann Institute of Science（魏茨曼科学研究所）
Theory of rigidity and numerical analysis of density of states of two-dimensional amorphous solids with dispersed frictional grains in the linear response regime
Soft, amorphous solids such as tissues, foams, and emulsions are composed of deformable particles. However, the effect of single-particle deformability on the collective behavior of soft solids is still poorly understood. We perform numerical simulations of two-dimensional jammed packings of explicitly deformable particles to study the mechanical response of model soft solids. We find that jammed packings of deformable particles with excess shape degrees of freedom possess low-frequency quartic vibrational modes that stabilize the packings even though they possess fewer interparticle contacts …
We construct the densest known two-dimensional packings of superdisks in the plane whose shapes are defined by |x^(2p) + y^(2p)| <= 1, which contains both convex-shaped particles (p > 0.5, with the circular-disk case p = 1) and concave-shaped particles (0 < p < 0.5). The packings of the convex cases with p 1 generated by a recently developed event-driven molecular dynamics (MD) simulation algorithm [Donev, Torquato and Stillinger, J. Comput. Phys. 202 (2005) 737] suggest exact constructions of the densest known packings. We find that the packing density (covering fraction of the particles) inc…
Dense, disordered packings of particles are useful models of low-temperature amorphous phases of matter, biological systems, granular media, and colloidal systems. The study of dense packings of nonspherical particles enables one to ascertain how rotational degrees of freedom affect packing behavior. Here, we study superballs, a large family of deformations of the sphere, defined in three dimensions by $|x_1|^{2p}+|x_2|^{2p}+|x_3|^{2p}\leq1$, where $p>0$ is a deformation parameter indicating to what extent the shape deviates from a sphere. As $p$ increases from the sphere point ($p=1$), the su…
Water and glycerol are well-known to facilitate the structural relaxation of amorphous protein matrices. However, several studies evidenced that they may also limit fast ($\sim$ pico-nanosecond, ps-ns) and small-amplitude ($\sim$ Å) motions of proteins, which govern their stability in freeze-dried sugar mixtures. To determine how they interact with proteins and sugars in glassy matrices and, thereby, modulate their fast dynamics, we performed molecular dynamics (MD) simulations of lysozyme/trehalose/glycerol (LTG) and trehalose/glycerol (TG) mixtures at low glycerol and water concentrations. U…
In this paper, we perform molecular dynamics (MD) simulations to study the two-dimensional packing process of both monosized and random size particles with radii ranging from $1.0 \, μm$ to $7.0 \, μm$. The system was allowed to settle under gravity towards the bottom of a $300 \, μm \times 500 \, μm$ rectangular box. The initial positions as well as the radii of five thousand fine particles were defined along the box by using a random number generator. Both the translational and the rotational movement of each particle were considered in the simulations. In order to deal with interacting fine…
We report a combined experimental and simulation study of deformation-induced diffusion in compacted two-dimensional amorphous granular pillars, in which thermal fluctuations play negligible role. The pillars, consisting of bidisperse cylindrical acetal plastic particles standing upright on a substrate, are deformed uniaxially and quasistatically by a rigid bar moving at a constant speed. The plastic flow and particle rearrangements in the pillars are characterized by computing the best-fit affine transformation strain and non-affine displacement associated with each particle between two stage…
The study of hard-particle packings is of fundamental importance in physics, chemistry, cell biology, and discrete geometry. Much of the previous work on hard-particle packings concerns their densest possible arrangements. By contrast, we examine kinetic effects inevitably present in both numerical and experimental packing protocols. Specifically, we determine how changing the compression/shear rate of a two-dimensional packing of noncircular particles causes it to deviate from its densest possible configuration, which is always periodic. The adaptive shrinking cell (ASC) optimization scheme m…
Structure, Dynamics and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay Between Free Volume Element Distribution and Local Segmental Dynamics from Molecular Dynamics Simulations
Dense hard-particle packings are intimately related to the structure of low-temperature phases of matter and are useful models of heterogeneous materials and granular media. Most studies of the densest packings in three dimensions have considered spherical shapes, and it is only more recently that nonspherical shapes (e.g., ellipsoids) have been investigated. Superballs (whose shapes are defined by |x1|^2p + |x2|^2p + |x3|^2p <= 1) provide a versatile family of convex particles (p >= 0.5) with both cubic- and octahedral-like shapes as well as concave particles (0 < p < 0.5) with octahedral-lik…
We experimentally measure a three-dimensional (3D) granular system's reversibility under cyclic compression. We image the grains using a refractive-index-matched fluid, then analyze the images using the artificial intelligence of variational autoencoders. These techniques allow us to track all the grains' translations and 3D rotations with accuracy sufficient to infer sliding and rolling displacements. Our observations reveal unique roles played by 3D rotational motions in granular flows. We find that rotations and contact-point motion dominate the dynamics in the bulk, far from the perturbati…
A fresh approach to the data from experiments with hard sphere colloids yields seminal insights into the glass transition. The precise determination of the fraction of particles caged by their neighbours is unprecedented and provides cornerstone of our study. We show that the so-called "dramatic slowing" that accompanies super-packing is due to correlated cage fluctuations, rather than caging per se. Their statistics establish that the amorphous assemblies of caged particles are in states of self-organised criticality. The implied connection between the onset of caging and the thermodynamic 1s…
Under applied shear strain, granular and amorphous materials deform via particle rearrangements, which can be small and localized or organized into system-spanning avalanches. While the statistical properties of avalanches under quasi-static shear are well-studied, the dynamics during avalanches is not. In numerical simulations of sheared soft spheres, we find that avalanches can be decomposed into bursts of localized deformations, which we identify using an extension of persistent homology methods. We also study the linear response of unstable systems during an avalanche, demonstrating that e…
In this paper, we perform molecular dynamics (MD) simulations to study the random packing of spheres with different particle size distributions. In particular, we deal with non-Gaussian distributions by means of the Lévy distributions. The initial positions, as well as the radii of five thousand non-overlapping particles, are assigned inside a confining rectangular box. After that, the system is allowed to settle under gravity towards the bottom of the box. Both the translational and rotational movements of each particle are considered in the simulations. In order to deal with interacting part…
