Contact numbers for congruent sphere packings in Euclidean 3-space

Continuing the investigations of Harborth (1974) and the author (2002) we study the following two rather basic problems on sphere packings. Recall that the contact graph of an arbitrary finite packing of unit balls (i.e., of an arbitrary finite family of non-overlapping unit balls) in Euclidean 3-space is the (simple) graph whose vertices correspond to the packing elements and whose two vertices are connected by an edge if the corresponding two packing elements touch each other. One of the most basic questions on contact graphs is to find the maximum number of edges that a contact graph of a packing of n unit balls can have in Euclidean 3-space. Our method for finding lower and upper estimates for the largest contact numbers is a combination of analytic and combinatorial ideas and it is also based on some recent results on sphere packings. Finally, we are interested also in the following more special version of the above problem. Namely, let us imagine that we are given a lattice unit sphere packing with the center points forming the lattice L in Euclidean 3-space (and with certain pairs of unit balls touching each other) and then let us generate packings of n unit balls such that each and every center of the n unit balls is chosen from L. Just as in the general case we are interested in finding good estimates for the largest contact number of the packings of n unit balls obtained in this way.Comment: 18 page

Random Sequential Addition of Hard Spheres in High Euclidean Dimensions

Employing numerical and theoretical methods, we investigate the structural characteristics of random sequential addition (RSA) of congruent spheres in $d$-dimensional Euclidean space $\mathbb{R}^d$ in the infinite-time or saturation limit for the first six space dimensions ($1 \le d \le 6$). Specifically, we determine the saturation density, pair correlation function, cumulative coordination number and the structure factor in each =of these dimensions. We find that for $2 \le d \le 6$, the saturation density $\phi_s$ scales with dimension as $\phi_s= c_1/2^d+c_2 d/2^d$, where $c_1=0.202048$ and $c_2=0.973872$. We also show analytically that the same density scaling persists in the high-dimensional limit, albeit with different coefficients. A byproduct of this high-dimensional analysis is a relatively sharp lower bound on the saturation density for any $d$ given by $\phi_s \ge (d+2)(1-S_0)/2^{d+1}$, where $S_0\in [0,1]$ is the structure factor at $k=0$ (i.e., infinite-wavelength number variance) in the high-dimensional limit. Consistent with the recent "decorrelation principle," we find that pair correlations markedly diminish as the space dimension increases up to six. Our work has implications for the possible existence of disordered classical ground states for some continuous potentials in sufficiently high dimensions.Comment: 38 pages, 9 figures, 4 table

Basic Understanding of Condensed Phases of Matter via Packing Models

Packing problems have been a source of fascination for millenia and their study has produced a rich literature that spans numerous disciplines. Investigations of hard-particle packing models have provided basic insights into the structure and bulk properties of condensed phases of matter, including low-temperature states (e.g., molecular and colloidal liquids, crystals and glasses), multiphase heterogeneous media, granular media, and biological systems. The densest packings are of great interest in pure mathematics, including discrete geometry and number theory. This perspective reviews pertinent theoretical and computational literature concerning the equilibrium, metastable and nonequilibrium packings of hard-particle packings in various Euclidean space dimensions. In the case of jammed packings, emphasis will be placed on the "geometric-structure" approach, which provides a powerful and unified means to quantitatively characterize individual packings via jamming categories and "order" maps. It incorporates extremal jammed states, including the densest packings, maximally random jammed states, and lowest-density jammed structures. Packings of identical spheres, spheres with a size distribution, and nonspherical particles are also surveyed. We close this review by identifying challenges and open questions for future research.Comment: 33 pages, 20 figures, Invited "Perspective" submitted to the Journal of Chemical Physics. arXiv admin note: text overlap with arXiv:1008.298

Robust Algorithm to Generate a Diverse Class of Dense Disordered and Ordered Sphere Packings via Linear Programming

We have formulated the problem of generating periodic dense paritcle packings as an optimization problem called the Adaptive Shrinking Cell (ASC) formulation [S. Torquato and Y. Jiao, Phys. Rev. E {\bf 80}, 041104 (2009)]. Because the objective function and impenetrability constraints can be exactly linearized for sphere packings with a size distribution in $d$-dimensional Euclidean space $\mathbb{R}^d$, it is most suitable and natural to solve the corresponding ASC optimization problem using sequential linear programming (SLP) techniques. We implement an SLP solution to produce robustly a wide spectrum of jammed sphere packings in $\mathbb{R}^d$ for $d=2,3,4,5$ and $6$ with a diversity of disorder and densities up to the maximally densities. This deterministic algorithm can produce a broad range of inherent structures besides the usual disordered ones with very small computational cost by tuning the radius of the {\it influence sphere}. In three dimensions, we show that it can produce with high probability a variety of strictly jammed packings with a packing density anywhere in the wide range $[0.6, 0.7408...]$. We also apply the algorithm to generate various disordered packings as well as the maximally dense packings for $d=2,3, 4,5$ and 6. Compared to the LS procedure, our SLP protocol is able to ensure that the final packings are truly jammed, produces disordered jammed packings with anomalously low densities, and is appreciably more robust and computationally faster at generating maximally dense packings, especially as the space dimension increases.Comment: 34 pages, 6 figure

Dense periodic packings of tori

Dense packings of nonoverlapping bodies in three-dimensional Euclidean space are useful models of the structure of a variety of many-particle systems that arise in the physical and biological sciences. Here we investigate the packing behavior of congruent ring tori, which are multiply connected nonconvex bodies of genus 1, as well as horn and spindle tori. We analytically construct a family of dense periodic packings of unlinked tori guided by the organizing principles originally devised for simply connected solid bodies [Torquato and Jiao, PRE 86, 011102 (2012)]. We find that the horn tori as well as certain spindle and ring tori can achieve a packing density higher than the densest known packing of both sphere and ellipsoids. In addition, we study dense packings of cluster of pair-linked ring tori (i.e., Hopf links).Comment: 15 pages, 7 figure

Highly saturated packings and reduced coverings

We introduce and study certain notions which might serve as substitutes for maximum density packings and minimum density coverings. A body is a compact connected set which is the closure of its interior. A packing $\cal P$ with congruent replicas of a body $K$ is $n$-saturated if no $n-1$ members of it can be replaced with $n$ replicas of $K$, and it is completely saturated if it is $n$-saturated for each $n\ge 1$. Similarly, a covering $\cal C$ with congruent replicas of a body $K$ is $n$-reduced if no $n$ members of it can be replaced by $n-1$ replicas of $K$ without uncovering a portion of the space, and it is completely reduced if it is $n$-reduced for each $n\ge 1$. We prove that every body $K$ in $d$-dimensional Euclidean or hyperbolic space admits both an $n$-saturated packing and an $n$-reduced covering with replicas of $K$. Under some assumptions on $K\subset \mathbb{E}^d$ (somewhat weaker than convexity), we prove the existence of completely saturated packings and completely reduced coverings, but in general, the problem of existence of completely saturated packings and completely reduced coverings remains unsolved. Also, we investigate some problems related to the the densities of $n$-saturated packings and $n$-reduced coverings. Among other things, we prove that there exists an upper bound for the density of a $d+2$-reduced covering of $\mathbb{E}^d$ with congruent balls, and we produce some density bounds for the $n$-saturated packings and $n$-reduced coverings of the plane with congruent circles

Optimal Packings of Superballs

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-like shapes. In this paper, we provide analytical constructions for the densest known superball packings for all convex and concave cases. The candidate maximally dense packings are certain families of Bravais lattice packings. The maximal packing density as a function of p is nonanalytic at the sphere-point (p = 1) and increases dramatically as p moves away from unity. The packing characteristics determined by the broken rotational symmetry of superballs are similar to but richer than their two-dimensional "superdisk" counterparts, and are distinctly different from that of ellipsoid packings. Our candidate optimal superball packings provide a starting point to quantify the equilibrium phase behavior of superball systems, which should deepen our understanding of the statistical thermodynamics of nonspherical-particle systems.Comment: 28 pages, 16 figure

Estimates of the optimal density and kissing number of sphere packings in high dimensions

The problem of finding the asymptotic behavior of the maximal density of sphere packings in high Euclidean dimensions is one of the most fascinating and challenging problems in discrete geometry. One century ago, Minkowski obtained a rigorous lower bound that is controlled asymptotically by $1/2^d$, where $d$ is the Euclidean space dimension. An indication of the difficulty of the problem can be garnered from the fact that exponential improvement of Minkowski's bound has proved to be elusive, even though existing upper bounds suggest that such improvement should be possible. Using a statistical-mechanical procedure to optimize the density associated with a "test" pair correlation function and a conjecture concerning the existence of disordered sphere packings [S. Torquato and F. H. Stillinger, Experimental Math. {\bf 15}, 307 (2006)], the putative exponential improvement was found with an asymptotic behavior controlled by $1/2^{(0.77865...)d}$. Using the same methods, we investigate whether this exponential improvement can be further improved by exploring other test pair correlation functions correponding to disordered packings. We demonstrate that there are simpler test functions that lead to the same asymptotic result. More importantly, we show that there is a wide class of test functions that lead to precisely the same exponential improvement and therefore the asymptotic form $1/2^{(0.77865...)d}$ is much more general than previously surmised.Comment: 23 pages, 4 figures, submitted to Phys. Rev.