Minkowski Tensors of Anisotropic Spatial Structure

This article describes the theoretical foundation of and explicit algorithms for a novel approach to morphology and anisotropy analysis of complex spatial structure using tensor-valued Minkowski functionals, the so-called Minkowski tensors. Minkowski tensors are generalisations of the well-known scalar Minkowski functionals and are explicitly sensitive to anisotropic aspects of morphology, relevant for example for elastic moduli or permeability of microstructured materials. Here we derive explicit linear-time algorithms to compute these tensorial measures for three-dimensional shapes. These apply to representations of any object that can be represented by a triangulation of its bounding surface; their application is illustrated for the polyhedral Voronoi cellular complexes of jammed sphere configurations, and for triangulations of a biopolymer fibre network obtained by confocal microscopy. The article further bridges the substantial notational and conceptual gap between the different but equivalent approaches to scalar or tensorial Minkowski functionals in mathematics and in physics, hence making the mathematical measure theoretic method more readily accessible for future application in the physical sciences

Minkowski tensors and local structure metrics: Amorphous and crystalline sphere packings

Robust and sensitive tools to characterise local structure are essential for investigations of granular or particulate matter. Often local structure metrics derived from the bond network are used for this purpose, in particular Steinhardt's bond-orientational order parameters ql . Here we discuss an alternative method, based on the robust characterisation of the shape of the particles' Voronoi cells, by Minkowski tensors and derived anisotropy measures. We have successfully applied these metrics to quantify structural changes and the onset of crystallisation in random sphere packs. Here we specifically discuss the expectation values of these metrics for simple crystalline unimodal packings of spheres, consisting of single spheres on the points of a Bravais lattice. These data provide an important reference for the discussion of anisotropy values of disordered structures that are typically of relevance in granular systems. This analysis demonstrates that, at least for sufficiently high packing fractions above φ > 0.61, crystalline sphere packs exist whose Voronoi cells are more anisotropic with respect to a volumetric moment tensor than the average value of Voronoi cell anisotropy in random sphere packs

Local Anisotropy of Fluids using Minkowski Tensors

Statistics of the free volume available to individual particles have previously been studied for simple and complex fluids, granular matter, amorphous solids, and structural glasses. Minkowski tensors provide a set of shape measures that are based on strong mathematical theorems and easily computed for polygonal and polyhedral bodies such as free volume cells (Voronoi cells). They characterize the local structure beyond the two-point correlation function and are suitable to define indices $0\leq \beta_\nu^{a,b}\leq 1$ of local anisotropy. Here, we analyze the statistics of Minkowski tensors for configurations of simple liquid models, including the ideal gas (Poisson point process), the hard disks and hard spheres ensemble, and the Lennard-Jones fluid. We show that Minkowski tensors provide a robust characterization of local anisotropy, which ranges from $\beta_\nu^{a,b}\approx 0.3$ for vapor phases to $\beta_\nu^{a,b}\to 1$ for ordered solids. We find that for fluids, local anisotropy decreases monotonously with increasing free volume and randomness of particle positions. Furthermore, the local anisotropy indices $\beta_\nu^{a,b}$ are sensitive to structural transitions in these simple fluids, as has been previously shown in granular systems for the transition from loose to jammed bead packs