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 maximizes the packing fraction of a hard-particle packing by first applying random translations and rotations to the particles and then isotropically compressing and shearing the simulation box repeatedly until a possibly jammed state is reached. We use a stochastic implementation of the ASC optimization scheme to mimic different effective time scales by varying the number of particle moves between compressions/shears. We generate dense, effectively jammed, monodisperse, two-dimensional packings of obtuse scalene triangle, rhombus, curved triangle, lens, and "ice cream cone" (a semicircle grafted onto an isosceles triangle) shaped particles, with a wide range of packing fractions and degrees of order. To quantify these kinetic effects, we introduce the kinetic frustration index $K$, which measures the deviation of a packing from its maximum possible packing fraction. To investigate how kinetics affect short- and long-range ordering in these packings, we compute their spectral densities and characterize their contact networks. We find that kinetic effects are most significant when the particles have greater asphericity, less curvature, and less rotational symmetry. This work may be relevant to the design of laboratory packing protocols.
Densely-packed bundles of biological filaments (filamentous proteins) are common and critical structural elements in range of biological materials. While most bundles form from intrinsically straight filaments, there are notable examples of protein filaments possessing a natural, or intrinsic, curvature, such as the helical bacterial flagellum. We study the non-linear interplay between thermodynamic preference for dense and regular inter-filament packing and the mechanical preference for uniform filament shape in bundles of helically-curved filaments. Geometric constraints in bundles make perf…
Packing frustration for confined fluids, i.e., the incompatibility between the preferred packing of the fluid particles and the packing constraints imposed by the confining surfaces, is studied for a dense hard-sphere fluid confined between planar hard surfaces at short separations. The detailed mechanism for the frustration is investigated via an analysis of the anisotropic pair distributions of the confined fluid, as obtained from integral equation theory for inhomogeneous fluids at pair correlation level within the anisotropic Percus-Yevick approximation. By examining the mean forces that a…
We investigate with experiments and novel mapping the structure of a hexagonally ordered filament bundle that is held near its ends and progressively twisted around its central axis. The filaments are free to slide relative to each other and are further held under tension-free boundary conditions. Measuring the bundle packing with micro x-ray imaging, we find that the filaments develop the helical rotation $Ω$ imposed at the boundaries. We then show that the observed structure is consistent with a mapping of the filament positions to disks packed on a dual non-Euclidean surface with a Gaussian…
Static granular packings are model hard-sphere glass formers. The nature of glass transition has remained a hotly debated issue. We review recent experimental progresses in using granular materials to study glass transitions. We focus on the growth of glass order with five-fold symmetry in granular packings and relate the findings to both geometric frustration and random first-order phase transition theories.
This work introduces the Hookean-Voronoi energy, a minimal model for the packing of soft, deformable balls. This is motivated by recent studies of quasi-periodic equilibria arising from dense packings of diblock and star polymers. Restricting to the planar case, we investigate the equilibrium packings of identical, deformable objects whose shapes are determined by an $N$-site Voronoi tessellation of a periodic rectangle. We derive a reduced formulation of the system showing at equilibria each site must reside at the ``max-center'' of its associated Voronoi region and construct a family of orde…
The smallest maximum kissing-number Voronoi polyhedron of 3d spheres is the icosahedron and the tetrahedron is the smallest volume that can show up in Delaunay tessalation. No periodic lattice is consistent with either and hence these dense packings are geometrically frustrated. Because icosahedra can be assembled from almost perfect tetrahedra, the terms "icosahedral" and "polytetrahedral" packing are often used interchangeably, which leaves the true origin of geometric frustration unclear. Here we report a computational study of freezing of 4d hard spheres, where the densest Voronoi cluster …
We examine a simple hard disc fluid with no long range interactions on the two dimensional space of constant negative Gaussian curvature, the hyperbolic plane. This geometry provides a natural mechanism by which global crystalline order is frustrated, allowing us to construct a tractable model of disordered monodisperse hard discs. We extend free area theory and the virial expansion to this regime, deriving the equation of state for the system, and compare its predictions with simulation near an isostatic packing in the curved space. Additionally, we investigate packing and dynamics on triply …
The freezing mechanism, recently suggested for a monodisperse hard-disk fluid [Huerta et al., Phys. Rev. E, 2006, 74, 061106] is extended here to an equimolar binary hard-disk mixtures. We are showing that for diameter ratios, smaller than 1.15 the global orientational order parameter of the binary mixture behaves like in the case of a monodisperse fluid. Namely, by increasing the disk number density there is a tendency to form a crystalline-like phase. However, for diameter ratios larger than 1.15 the binary mixtures behave like a disordered fluid. We use some of the structural and thermodyna…
We experimentally and numerically study the structure and dynamics of a mono-disperse packing of spontaneously aligning self-propelled hard disks. The packings are such that their equilibrium counterparts form perfectly ordered hexagonal structures. Experimentally, we first form a perfect crystal in an hexagonal arena which respects the same crystalline symmetry. Frustration of the hexagonal order, obtained by removing a few particles, leads to the formation of a rapidly diffusing "droplet". Removing more particles, the whole system spontaneously forms a macroscopic sheared flow, while conserv…
We have produced loose packings of cohesionless, frictional spheres by sequential deposition of highly-spherical, monodisperse particles through a fluid. By varying the properties of the fluid and the particles, we have identified the Stokes number (St) - rather than the buoyancy of the particles in the fluid - as the parameter controlling the approach to the loose packing limit. The loose packing limit is attained at a threshold value of St at which the kinetic energy of a particle impinging on the packing is fully dissipated by the fluid. Thus, for cohesionless particles, the dynamics of the…
An exact description of the complete jamming landscape is developed for a system of hard discs of diameter $σ$, confined between two lines separated by a distance $1+\sqrt{3/4} < H/σ< 2$. By considering all possible local packing arrangements, the generalized ensemble partition function of jammed states is obtained using the transfer matrix method, which allows us to calculate the configurational entropy and the equation of state for the packings. Exploring the relationship between structural order and packing density, we find that the geometric frustration between local packing environments p…
It has been recently shown [E. Lerner, G. Düring, and E. Bouchbinder, Phys. Rev. Lett. 117, 035501 (2016)] that the non-phononic vibrational modes of structural glasses at low-frequencies $ω$ are quasi-localized and follow a universal density of states $D(ω)\!\sim\!ω^4$. Here we show that the gapless nature of the observed density of states depends on the existence of internal stresses which generically emerge in glasses due to frustration, thus elucidating a basic element underlying this universal behavior. Similarly to jammed particulate packings, low-frequency modes in structural glasses em…
We discuss the situation where attractive and repulsive portions of the inter-particle potential both contribute significantly to glass formation. We introduce the square-well potential as prototypical model for this situation, and {\it reject} the Baxter as a useful model for comparison to experiment on glasses, based on our treatment within mode coupling theory. We present explicit results for various well-widths, and show that, for narrow wells, there is a useful analytical formula that would be suitable for experimentalist working in the field of colloidal science. We raise the question as…
We use computer simulations and simple theoretical models to analyze the morphologies that result when rod-like particles end-attach onto a curved surface, creating a finite-thickness monolayer aligned with the surface normal. This geometry leads to two forms of frustration, one associated with the incompatibility of hexagonal order on surfaces with Gaussian curvature, and the second reflecting the deformation of a layer with finite thickness on a surface with non-zero mean curvature. We show that the latter effect leads to a faceting mechanism. Above threshold values of the inter-particle att…
Disordered jammed packings under confinement have received considerably less attention than their \textit{bulk} counterparts and yet arise in a variety of practical situations. In this work, we study binary sphere packings that are confined between two parallel hard planes, and generalize the Torquato-Jiao (TJ) sequential linear programming algorithm [Phys. Rev. E {\bf 82}, 061302 (2010)] to obtain putative maximally random jammed (MRJ) packings that are exactly isostatic with high fidelity over a large range of plane separation distances $H$, small to large sphere radius ratio $α$ and small s…
Spatially ordered systems confined to surfaces such as spheres exhibit interesting topological structures because of curvature induced frustration in orientational as well as translational order. The study of these structures is important for investigating the interplay between geometry, topology, and elasticity, and for their potential applications in materials science. In this work we numerically simulate a spherical monolayer of soft repulsive spherocylinders (SRS) and study the packing of rods and their ordering transition as a function of the packing fraction. In the model that we study, …
Geometric frustration describes the inability of a local molecular arrangement, such as icosahedra found in metallic glasses and in model atomic glass-formers, to tile space. Local icosahedral order however is strongly frustrated in Euclidean space, which obscures any causal relationship with the observed dynamical slowdown. Here we relieve frustration in a model glass-forming liquid by curving 3-dimensional space onto the surface of a 4-dimensional hypersphere. For sufficient curvature, frustration vanishes and the liquid freezes in a fully icosahedral structure via a sharp `transition'. Frus…
Kinetic Theory for the Shear Viscosity of Dense Binary Dipolar Fluid Mixtures
Department of Mechanical and Industrial Engineering, Norwegian University of Science and Technology（挪威科技大学机械与工业工程系）；Instituto de Alta Investigación, Universidad de Tarapacá（塔拉帕卡大学高等研究所）
An important strategy to stabilize emulsions is to arrest coalescence of the constituent droplets with an opposing rheological force. Colloidal particles adsorbed on the surface of emulsion droplets in a Pickering emulsion become increasingly crowded during successive coalescence events because the combined surface area of coalescing droplets is less than that of the constituent droplets. Beyond a critical density, the particles form a rigid shell around the droplet and inhibit both relaxation of the droplet shape and further coalescence. The resulting droplets have a nonuniform distribution o…
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 study experimentally the motion of an intruder dragged into an amorphous monolayer of horizontally vibrated grains at high packing fractions. This motion exhibits two transitions. The first transition separates a continuous motion regime at comparatively low packing fractions and large dragging force from an intermittent motion one at high packing fraction and low dragging force. Associated to these different motions, we observe a transition from a linear rheology to a stiffer response. We thereby call "fluidisation" this first transition. A second transition is observed within the intermit…
Nanocomposite films containing a high volume fraction (> 50vol%) of nanoparticles (NPs) in a polymer matrix are promising for their functionality and use as structural coatings, and also provide a unique platform to understand polymer behavior under strong confinement. Previously, we developed a novel technique to fabricate such nanocomposites at room temperature using solvent-driven infiltration of polymer (SIP) into NP packings. In the SIP process, a bilayer made of an underlying polymer film and a dense packing of NPs is exposed to solvent vapor which induces condensation of the solvent int…
When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate $R_c$, the crystalline state is bypassed and an amorphous glassy state forms instead. $R_c$ (or the corresponding critical casting thickness $d_c$) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small $R_c<10^{-2}$ K/s, pure metals and most alloys are poor glass-formers with large $R_c>10^{10}$ K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with $R_c$ approaching that for silica. Recent …
Irreversible random sequential deposition of interacting particles is widely used to model aggregation phenomena in physical, chemical, and biophysical systems. We show that in one dimension the exact time dependent solution of such processes can be found for arbitrary interaction potentials with finite range. The exact solution allows to rigorously prove characteristic features of the deposition kinetics, which have previously only been accessible by simulations. We show in particular that a unique interaction potential exists that leads to a maximally dense line coverage for a given interact…
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…
Superballs represent a class of particles whose shapes are defined by ${|x|}^{2p}+{|y|}^{2p}+{|z|}^{2p} \le R^{2p}$, with $p\in(0,\infty)$ being the "deformation parameter". $0<p<0.5$ represents a family of hexapodlike (concave octahedrallike) particles, while for $0.5\leq p<1$ and $p>1$ one has, respectively, families of convex octahedrallike and cubelike particles, with $p=1,\;0.5$ and $\infty$ representing spheres, octahedra, and cubes. Colloidal zeolite suspensions, catalysis, and adsorption, as well as biomedical magnetic nanoparticles are but a few of the applications of packing of super…
Crystallization and vitrification are two different routes to form a solid. Normally these two processes suppress each other, with the glass transition preventing crystallization at high density (or low temperature). This is even true for systems of colloidal hard spheres, which are commonly used as building blocks for novel functional materials with potential applications, e.g. photonic crystals. By performing Brownian dynamics simulations of glassy systems consisting of mixtures of active and passive hard spheres, we show that the crystallization of such hard-sphere glasses can be dramatical…
Deposition and evaporation of infinitely thin hard rods (needles) is studied in two dimensions using Monte Carlo simulations. The ratio of deposition to evaporation rates controls the equilibrium density of rods, and increasing it leads to an entropy-driven transition to a nematic phase in which both static and dynamical orientational correlation functions decay as power laws, with exponents varying continuously with deposition-evaporation rate ratio. Our results for the onset of the power-law phase agree with those for a conserved number of rods. At a coarse-grained level, the dynamics of the…
Computer simulation was used to study the random sequential adsorption of identical discorectangles onto a continuous plane . The problem was analyzed for a wide range of discorectangle aspect ratios ($\varepsilon \in [1;100]$). We studied anisotropic deposition, i.e., the orientations of the deposited particles were uniformly distributed within some interval such that the particles were preferentially aligned along a given direction. The kinetics of the changes in the packing density $φ$ found at different values of $S_0$ are discussed. Partial ordering of the discorectangles significantly af…
