Hypoconstrained Jammed Packings of Nonspherical Hard Particles: Ellipses and Ellipsoids

Continuing on recent computational and experimental work on jammed packings of hard ellipsoids [Donev et al., Science, vol. 303, 990-993] we consider jamming in packings of smooth strictly convex nonspherical hard particles. We explain why the isocounting conjecture, which states that for large disordered jammed packings the average contact number per particle is twice the number of degrees of freedom per particle (\bar{Z}=2d_{f}), does not apply to nonspherical particles. We develop first- and second-order conditions for jamming, and demonstrate that packings of nonspherical particles can be jammed even though they are hypoconstrained (\bar{Z}<2d_{f}). We apply an algorithm using these conditions to computer-generated hypoconstrained ellipsoid and ellipse packings and demonstrate that our algorithm does produce jammed packings, even close to the sphere point. We also consider packings that are nearly jammed and draw connections to packings of deformable (but stiff) particles. Finally, we consider the jamming conditions for nearly spherical particles and explain quantitatively the behavior we observe in the vicinity of the sphere point.Comment: 33 pages, third revisio

Densest local packing diversity. II. Application to three dimensions

The densest local packings of N three-dimensional identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained for selected values of N up to N = 1054. In the predecessor to this paper [A.B. Hopkins, F.H. Stillinger and S. Torquato, Phys. Rev. E 81 041305 (2010)], we described our method for finding the putative densest packings of N spheres in d-dimensional Euclidean space Rd and presented those packings in R2 for values of N up to N = 348. We analyze the properties and characteristics of the densest local packings in R3 and employ knowledge of the Rmin(N), using methods applicable in any d, to construct both a realizability condition for pair correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings. In R3, we find wide variability in the densest local packings, including a multitude of packing symmetries such as perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest local packings of N spheres near a central sphere to minimal-energy configurations of N+1 points interacting with short-range repulsive and long-range attractive pair potentials, e.g., 12-6 Lennard-Jones, and find that they are in general completely different, a result that has possible implications for nucleation theory. We also compare the densest local packings to finite subsets of stacking variants of the densest infinite packings in R3 (the Barlow packings) and find that the densest local packings are almost always most similar, as measured by a similarity metric, to the subsets of Barlow packings with the smallest number of coordination shells measured about a single central sphere, e.g., a subset of the FCC Barlow packing. We additionally observe that the densest local packings are dominated by the spheres arranged with centers at precisely distance Rmin(N) from the fixed sphere's center.Comment: 45 pages, 18 figures, 2 table

Tuning Jammed Frictionless Disk Packings from Isostatic to Hyperstatic

We perform extensive computational studies of two-dimensional static bidisperse disk packings using two distinct packing-generation protocols. The first involves thermally quenching equilibrated liquid configurations to zero temperature over a range of thermal quench rates $r$ and initial packing fractions followed by compression and decompression in small steps to reach packing fractions $\phi_J$ at jamming onset. For the second, we seed the system with initial configurations that promote micro- and macrophase-separated packings followed by compression and decompression to $\phi_J$. We find that amorphous, isostatic packings exist over a finite range of packing fractions from $\phi_{\rm min} \le \phi_J \le \phi_{\rm max}$ in the large-system limit, with $\phi_{\rm max} \approx 0.853$. In agreement with previous calculations, we obtain $\phi_{\rm min} \approx 0.84$ for $r > r^*$, where $r^*$ is the rate above which $\phi_J$ is insensitive to rate. We further compare the structural and mechanical properties of isostatic versus hyperstatic packings. The structural characterizations include the contact number, bond orientational order, and mixing ratios of the large and small particles. We find that the isostatic packings are positionally and compositionally disordered, whereas bond-orientational and compositional order increase with contact number for hyperstatic packings. In addition, we calculate the static shear modulus and normal mode frequencies of the static packings to understand the extent to which the mechanical properties of amorphous, isostatic packings are different from partially ordered packings. We find that the mechanical properties of the packings change continuously as the contact number increases from isostatic to hyperstatic.Comment: 11 pages, 15 figure

Critical slowing down and hyperuniformity on approach to jamming

Hyperuniformity characterizes a state of matter that is poised at a critical point at which density or volume-fraction fluctuations are anomalously suppressed at infinite wavelengths. Recently, much attention has been given to the link between strict jamming and hyperuniformity in frictionless hard-particle packings. Doing so requires one to study very large packings, which can be difficult to jam properly. We modify the rigorous linear programming method of Donev et al. [J. Comp. Phys. 197, 139 (2004)] in order to test for jamming in putatively jammed packings of hard-disks in two dimensions. We find that various standard packing protocols struggle to reliably create packings that are jammed for even modest system sizes; importantly, these packings appear to be jammed by conventional tests. We present evidence that suggests that deviations from hyperuniformity in putative maximally random jammed (MRJ) packings can in part be explained by a shortcoming in generating exactly-jammed configurations due to a type of "critical slowing down" as the necessary rearrangements become difficult to realize by numerical protocols. Additionally, various protocols are able to produce packings exhibiting hyperuniformity to different extents, but this is because certain protocols are better able to approach exactly-jammed configurations. Nonetheless, while one should not generally expect exact hyperuniformity for disordered packings with rattlers, we find that when jamming is ensured, our packings are very nearly hyperuniform, and deviations from hyperuniformity correlate with an inability to ensure jamming, suggesting that strict jamming and hyperuniformity are indeed linked. This raises the possibility that the ideal MRJ packings have no rattlers. Our work provides the impetus for the development of packing algorithms that produce large disordered strictly jammed packings that are rattler-free.Comment: 15 pages, 11 figures. Accepted for publication in Phys. Rev.

Dense Packings of Superdisks and the Role of Symmetry

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) increases dramatically as the particle shape moves away from the "circular-disk" point (p = 1). In particular, we find that the maximal packing densities of superdisks for certain p 6 = 1 are achieved by one of the two families of Bravais lattice packings, which provides additional numerical evidence for Minkowski's conjecture concerning the critical determinant of the region occupied by a superdisk. Moreover, our analysis on the generated packings reveals that the broken rotational symmetry of superdisks influences the packing characteristics in a non-trivial way. We also propose an analytical method to construct dense packings of concave superdisks based on our observations of the structural properties of packings of convex superdisks.Comment: 15 pages, 8 figure

Soft Sphere Packings at Finite Pressure but Unstable to Shear

When are athermal soft sphere packings jammed ? Any experimentally relevant definition must at the very least require a jammed packing to resist shear. We demonstrate that widely used (numerical) protocols in which particles are compressed together, can and do produce packings which are unstable to shear - and that the probability of generating such packings reaches one near jamming. We introduce a new protocol that, by allowing the system to explore different box shapes as it equilibrates, generates truly jammed packings with strictly positive shear moduli G. For these packings, the scaling of the average of G is consistent with earlier results, while the probability distribution P(G) exhibits novel and rich scalingComment: 5 pages, 6 figures. Resubmitted to Physical Review Letters after a few change