Pomelo, a tool for computing Generic Set Voronoi Diagrams of Aspherical Particles of Arbitrary Shape

We describe the development of a new software tool, called "Pomelo", for the calculation of Set Voronoi diagrams. Voronoi diagrams are a spatial partition of the space around the particles into separate Voronoi cells, e.g. applicable to granular materials. A generalization of the conventional Voronoi diagram for points or monodisperse spheres is the Set Voronoi diagram, also known as navigational map or tessellation by zone of influence. In this construction, a Set Voronoi cell contains the volume that is closer to the surface of one particle than to the surface of any other particle. This is required for aspherical or polydisperse systems. Pomelo is designed to be easy to use and as generic as possible. It directly supports common particle shapes and offers a generic mode, which allows to deal with any type of particles that can be described mathematically. Pomelo can create output in different standard formats, which allows direct visualization and further processing. Finally, we describe three applications of the Set Voronoi code in granular and soft matter physics, namely the problem of packings of ellipsoidal particles with varying degrees of particle-particle friction, mechanical stable packings of tetrahedra and a model for liquid crystal systems of particles with shapes reminiscent of pearsComment: 4 pages, 9 figures, Submitted to Powders and Grains 201

Asymptotic statistics of the n-sided planar Poisson-Voronoi cell. I. Exact results

We achieve a detailed understanding of the $n$-sided planar Poisson-Voronoi cell in the limit of large $n$. Let ${p}\_n$ be the probability for a cell to have $n$ sides. We construct the asymptotic expansion of $\log {p}\_n$ up to terms that vanish as $n\to\infty$. We obtain the statistics of the lengths of the perimeter segments and of the angles between adjoining segments: to leading order as $n\to\infty$, and after appropriate scaling, these become independent random variables whose laws we determine; and to next order in $1/n$ they have nontrivial long range correlations whose expressions we provide. The $n$-sided cell tends towards a circle of radius (n/4\pi\lambda)^{\half}, where $\lambda$ is the cell density; hence Lewis' law for the average area $A\_n$ of the $n$-sided cell behaves as $A\_n \simeq cn/\lambda$ with $c=1/4$. For $n\to\infty$ the cell perimeter, expressed as a function $R(\phi)$ of the polar angle $\phi$, satisfies $d^2 R/d\phi^2 = F(\phi)$, where $F$ is known Gaussian noise; we deduce from it the probability law for the perimeter's long wavelength deviations from circularity. Many other quantities related to the asymptotic cell shape become accessible to calculation.Comment: 54 pages, 3 figure

Calculation of the Voronoi boundary for lens-shaped particles and spherocylinders

We have recently developed a mean-field theory to estimate the packing fraction of non-spherical particles [A. Baule et al., Nature Commun. (2013)]. The central quantity in this framework is the Voronoi excluded volume, which generalizes the standard hard-core excluded volume appearing in Onsager's theory. The Voronoi excluded volume is defined from an exclusion condition for the Voronoi boundary between two particles, which is usually not tractable analytically. Here, we show how the technical difficulties in calculating the Voronoi boundary can be overcome for lens-shaped particles and spherocylinders, two standard prolate and oblate shapes with rotational symmetry. By decomposing these shapes into unions and intersections of spheres analytical expressions can be obtained.Comment: 19 pages, 8 figure