arXiv subjects

Gerd E. Schröder-Turk

Publications and source records attributed to Gerd E. Schröder-Turk.

At least 19 recordsLinked to original sources

arXiv2025

The chiral gyrating H'-T surface family: construction from the dual qtz--qzd nets and existence proof using a toroidal Weierstrass method

This paper provides a construction and existence proof for a 1-parameter family of chiral unbalanced triply-periodic minimal surfaces of genus 4. We name these {\textit{gyrating H'-T} surfaces, because they are related to Schoen's H'-T surfaces in a similar way as the Gyroid is to the Primitive surface. Their chirality is manifest in a screw symmetry of order six. The two labyrinthine domains on either side of the surface are not congruent, rather one representing the quartz net (\texttt{qtz}) and the other one the dual of the quartz net (\texttt{qzd}). The family tends to the Scherk saddle tower in one limit and to the doubly periodic Scherk surface in the other. The motivation for the construction was to construct a chiral tunable unbalanced surface family, originally as a template for photonic materials. The numeric construction is based on reverse-engineering of the tubular surface of two suitably chosen dual nets, using the \textit{Surface Evolver}} to minimize area or curvature variations. The existence is proved using Weierstrass parametrizations defined on the branched torus.

math.DG↗

arXiv2024

Composite material in the sea urchin Cidaris rugosa: ordered and disordered micron-scale bicontinuous geometries

The sponge-like biomineralised calcite materials found in echinoderm skeletons are of interest in terms of both structure formation and biological function. Despite their crystalline atomic structure, they exhibit curved interfaces that have been related to known triply-periodic minimal surfaces. Here, we investigate the endoskeleton of the sea urchin Cidaris rugosa that has long been known to form a microstructure related to the Primitive surface. Using X-ray tomography, we find that the endoskeleton is organised as a composite material consisting of domains of bicontinuous microstructures with different structural properties. We describe, for the first time, the co-occurrence of ordered Primitive and Diamond structures and of a disordered structure within a single skeletal plate. We show that these structures can be distinguished by structural properties including solid volume fraction, trabeculae width, and to a lesser extent, interface area and mean curvature. In doing so, we present a robust method that extracts interface areas and curvature integrals from voxelized datasets using the Steiner polynomial for parallel body volumes. We discuss these very large scale bicontinuous structures in the context of their function, formation, and evolution.

cond-mat.soft↗

arXiv2020

Low-temperature statistical mechanics of the QuanTizer problem: fast quenching and equilibrium cooling of the three-dimensional Voronoi Liquid

The Quantizer problem is a tessellation optimisation problem where point configurations are identified such that the Voronoi cells minimise the second moment of the volume distribution. While the ground state (optimal state) in 3D is almost certainly the body-centered cubic lattice, disordered and effectively hyperuniform states with energies very close to the ground state exist that result as stable states in an evolution through the geometric Lloyd's algorithm [Klatt et al. Nat. Commun., 10, 811 (2019)]. When considered as a statistical mechanics problem at finite temperature, the same system has been termed the 'Voronoi Liquid' by [Ruscher et al. EPL 112, 66003 (2015)]. Here we investigate the cooling behaviour of the Voronoi liquid with a particular view to the stability of the effectively hyperuniform disordered state. As a confirmation of the results by Ruscher et al., we observe, by both molecular dynamics and Monte Carlo simulations, that upon slow quasi-static equilibrium cooling, the Voronoi liquid crystallises from a disordered configuration into the body-centered cubic configuration. By contrast, upon sufficiently fast non-equilibrium cooling (and not just in the limit of a maximally fast quench) the Voronoi liquid adopts similar states as the effectively hyperuniform inherent structures identified by Klatt et al. and prevents the ordering transition into a BCC ordered structure. This result is in line with the geometric intuition that the geometric Lloyd's algorithm corresponds to a type of fast quench.

cond-mat.soft↗

arXiv2020

Self-assembly and entropic effects in pear-shaped colloid systems: I. Shape sensitivity of bilayer phases in colloidal pear-shaped particle systems

The role of particle shape in self-assembly processes is a double-edged sword. On the one hand, particle shape and particle elongation are often considered the most fundamental determinants of soft matter structure formation. On the other hand, structure formation is often highly sensitive to details of shape. Here we address the question of particle shape sensitivity for the self-assembly of hard pear-shaped particles, by studying two models for this system: a) the pear hard Gaussian overlap (PHGO) and b) hard pears of revolution (HPR) model. Hard pear-shaped particles, given by the PHGO model, are known to form a bicontinuous gyroid phase spontaneously. However, this model does not replicate an additive object perfectly and, hence, varies slightly in shape from a "true" pear-shape. Therefore, we investigate in the first part of this series the stability of the gyroid phase in pear-shaped particle systems. We show based on the HPR phase diagram that the gyroid phase does not form in pears with such "true" hard pear-shaped potential. Moreover, we acquire first indications from the HPR and PHGO pair-correlation functions that the formation of the gyroid is probably attributed to the small non-additive properties of the PHGO potential.

cond-mat.soft↗

arXiv2020

Self-assembly and entropic effects in pear-shaped colloid systems: II. Depletion attraction of pear-shaped particles in a hard sphere solvent

We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent, for two different model realisations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and the hard pears of revolution (HPR). The motivation for this study is to provide a microscopic understanding for the substantially different mesoscopic self-assembly properties of these pear-shaped colloids, in dense suspensions, that have been reported in the first part of this series. This is done by determining the differing depletion attraction via MC simulations of PHGO and HPR particles in a pool of a hard spherical solvent and comparing them with excluded volume calculations of numerically obtained ideal configurations on the microscopic level. While the HPR model behaves as predicted by the analysis of excluded volumes, the PHGO model showcases a preference for splay between neighbouring particles, which can be attributed to the special non-additive characteristics of the PHGO contact function. Lastly, we propose a potentially experimentally realisable pear-shaped particle model, the non-additive hard pear of revolution (NAHPR) model, which is based on the HPR model but also features non-additive traits similar to those of PHGO particles to mimic their depletion behaviour.

cond-mat.soft↗

arXiv2019

Patchy particles by self-assembly of star copolymers on a spherical substrate: Thomson solutions in a geometric problem with a color constraint

Confinement or geometric frustration is known to alter the structure of soft matter, including copolymeric melts, and can consequently be used to tune structure and properties. Here we investigate the self-assembly of ABC and ABB 3-miktoarm star copolymers confined to a shell using coarse-grained Dissipative Particle Dynamics simulations. In bulk and flat geometries the ABC stars form hexagonal tilings, but this is topologically prohibited in a spherical geometry which normally is alleviated by forming pentagonal tiles. However, the molecular architecture of the ABC stars implies an additional 'color constraint' which only allows even tilings (where all polygons have an even number of edges) and we study the effect of these simultaneous constraints. We find that both ABC and ABB systems form spherical tiling patterns, the type of which depends on the radius of the spherical substrate. For small spherical substrates, all solutions correspond to patterns solving the Thomson problem of placing mobile repulsive electric charges on a sphere. In ABC systems we find three coexisting, possibly different tilings, one in each color, each of them solving the Thomson problem simultaneously. For all except the smallest substrates, we find competing solutions with seemingly degenerate free energies that occur with different probabilities. Statistically, an observer who is blind to the differences between B and C can tell from the structure of the A domains if the system is an ABC or an ABB star copolymer system.

cond-mat.soft↗

arXiv2019

Geometric effects in random assemblies of ellipses

Assemblies of anisotropic particles commonly appear in studies of active many-body systems. However, in two dimensions, the geometric ramifications of the finite density of such objects are not entirely understood. To fully characterize these effects, we perform an in-depth study of random assemblies generated by a slow compression of frictionless elliptical particles. The obtained configurations are then analysed using the Set Voronoi tessellation which takes the particle shape into the account. Not only that we analyse most scalar and vectorial morphological measures, which are commonly discussed in the literature or which have been recently addressed in experiments, but also systematically explore the correlations between them. While in a limited range of parameters similarities with findings in 3D assemblies could be identified, important differences are found when a broad range of aspect ratios and packing fractions are considered. The data discussed in this study should thus provide a unique reference set such that geometric effects and differences from random assemblies could be clearly identified in more complex systems, including ones with soft and active particles that are typically found in biological systems.

physics.bio-ph↗

arXiv2017

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 pears

physics.data-an↗

arXiv2016

Cell shape analysis of random tessellations based on Minkowski tensors

To which degree are shape indices of individual cells of a tessellation characteristic for the stochastic process that generates them? Within the context of stochastic geometry and the physics of disordered materials, this corresponds to the question of relationships between different stochastic models. In the context of image analysis of synthetic and biological materials, this question is central to the problem of inferring information about formation processes from spatial measurements of resulting random structures. We address this question by a theory-based simulation study of shape indices derived from Minkowski tensors for a variety of tessellation models. We focus on the relationship between two indices: an isoperimetric ratio of the empirical averages of cell volume and area and the cell elongation quantified by eigenvalue ratios of interfacial Minkowski tensors. Simulation data for these quantities, as well as for distributions thereof and for correlations of cell shape and volume, are presented for Voronoi mosaics of the Poisson point process, determinantal and permanental point processes, and Gibbs hard-core and random sequential absorption processes as well as for Laguerre tessellations of polydisperse spheres and STIT- and Poisson hyperplane tessellations. These data are complemented by mechanically stable crystalline sphere and disordered ellipsoid packings and area-minimising foam models. We find that shape indices of individual cells are not sufficient to unambiguously identify the generating process even amongst this limited set of processes. However, we identify significant differences of the shape indices between many of these tessellation models. Given a realization of a tessellation, these shape indices can narrow the choice of possible generating processes, providing a powerful tool which can be further strengthened by density-resolved volume-shape correlations.

cond-mat.soft↗

arXiv2016

Splitting of the universality class of anomalous transport in crowded media

We investigate the emergence of subdiffusive transport by obstruction in continuum models for molecular crowding. While the underlying percolation transition for the accessible space displays universal behavior, the dynamic properties depend in a subtle non-universal way on the transport through narrow channels. At the same time, the different universality classes are robust with respect to introducing correlations in the obstacle matrix as we demonstrate for quenched hard-sphere liquids as underlying structures. Our results confirm that the microscopic dynamics can dominate the relaxational behavior even at long times, in striking contrast to glassy dynamics.

cond-mat.stat-mech↗

arXiv2015

Non-universal Voronoi cell shapes in amorphous ellipsoid packings

In particulate systems with short-range interactions, such as granular matter or simple fluids, local structure plays a pivotal role in determining the macroscopic physical properties. Here, we analyse local structure metrics derived from the Voronoi diagram of configurations of oblate ellipsoids, for various aspect ratios $α$ and global volume fractions $ϕ_g$. We focus on jammed static configurations of frictional ellipsoids, obtained by tomographic imaging and by discrete element method simulations. In particular, we consider the local packing fraction $ϕ_l$, defined as the particle's volume divided by its Voronoi cell volume. We find that the probability $P(ϕ_l)$ for a Voronoi cell to have a given local packing fraction shows the same scaling behaviour as function of $ϕ_g$ as observed for random sphere packs. Surprisingly, this scaling behaviour is further found to be independent of the particle aspect ratio. By contrast, the typical Voronoi cell shape, quantified by the Minkowski tensor anisotropy index $β=β_0^{2,0}$, points towards a significant difference between random packings of spheres and those of oblate ellipsoids. While the average cell shape $β$ of all cells with a given value of $ϕ_l$ is very similar in dense and loose jammed sphere packings, the structure of dense and loose ellipsoid packings differs substantially such that this does not hold true. This non-universality has implications for our understanding of jamming of aspherical particles.

cond-mat.soft↗

arXiv2015

Local origin of global contact numbers in frictional ellipsoid packings

In particulate soft matter systems the average number of contacts $Z$ of a particle is an important predictor of the mechanical properties of the system. Using X-ray tomography, we analyze packings of frictional, oblate ellipsoids of various aspect ratios $α$, prepared at different global volume fractions $ϕ_g$. We find that $Z$ is a monotonously increasing function of $ϕ_g$ for all $α$. We demonstrate that this functional dependence can be explained by a local analysis where each particle is described by its local volume fraction $ϕ_l$ computed from a Voronoi tessellation. $Z$ can be expressed as an integral over all values of $ϕ_l$: $Z(ϕ_g, α, X) = \int Z_l (ϕ_l, α, X) \; P(ϕ_l | ϕ_g) \; dϕ_l$. The local contact number function $ Z_l (ϕ_l, α, X)$ describes the relevant physics in term of locally defined variables only, including possible higher order terms $X$. The conditional probability $P(ϕ_l | ϕ_g)$ to find a specific value of $ϕ_l$ given a global packing fraction $ϕ_g$ is found to be independent of $α$ and $X$. Our results demonstrate that for frictional particles a local approach is not only a theoretical requirement but also feasible.

cond-mat.soft↗

arXiv2013

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.

cond-mat.soft↗

arXiv2013

Network-like propagation of cell-level stress in random foams

Quasistatic simple shearing flow of random monodisperse soap froth is investigated by analyzing Surface Evolver simulations of spatially periodic foams. Elastic-plastic behavior is caused by irreversible topological rearrangements (T1s) that occur when Plateau's laws are violated; the first T1s occur at the elastic limit and at large strains frequent cascades of T1s, composed of one or more individual T1s, sustain the yield-stress plateau. The stress and shape anisotropy of individual cells is quantified by $Q$, a scalar measure derived from the interface tensor that gauges each cell's contribution to the global stress. During each T1 cascade, the connected set of cells with decreasing $Q$, called the \textit{stress release domain}, is network-like and highly non-local. Geometrically, the network-like nature of the stress release domains is corroborated through morphological analysis using the Euler characteristic. The stress release domain is distinctly different from the set of cells that change topology during a T1 cascade. Our results highlight the unique rheological behavior of foams, where complex large-scale cooperative rearrangements of foam cells are observed as a consequence of distinctly local events.

cond-mat.soft↗

arXiv2012

Shortcomings of the Bond Orientational Order Parameters for the Analysis of Disordered Particulate Matter

Local structure characterization with the bond-orientational order parameters q4, q6, ... introduced by Steinhardt et al. has become a standard tool in condensed matter physics, with applications including glass, jamming, melting or crystallization transitions and cluster formation. Here we discuss two fundamental flaws in the definition of these parameters that significantly affect their interpretation for studies of disordered systems, and offer a remedy. First, the definition of the bond-orientational order parameters considers the geometrical arrangement of a set of neighboring spheres NN(p) around a given central particle p; we show that procedure to select the spheres constituting the neighborhood NN(p) can have greater influence on both the numerical values and qualitative trend of ql than a change of the physical parameters, such as packing fraction. Second, the discrete nature of neighborhood implies that NN(p) is not a continuous function of the particle coordinates; this discontinuity, inherited by ql, leads to a lack of robustness of the ql as structure metrics. Both issues can be avoided by a morphometric approach leading to the robust Minkowski structure metrics ql'. These ql' are of a similar mathematical form as the conventional bond-orientational order parameters and are mathematically equivalent to the recently introduced Minkowski tensors [Europhys. Lett. 90, 34001 (2010); Phys. Rev. E. 85, 030301 (2012)].

cond-mat.soft↗

arXiv2012

Permeability of porous materials determined from the Euler characteristic

We study the permeability of quasi two-dimensional porous structures of randomly placed overlapping monodisperse circular and elliptical grains. Measurements in microfluidic devices and lattice Boltzmann simulations demonstrate that the permeability is determined by the Euler characteristic of the conducting phase. We obtain an expression for the permeability that is independent of the percolation threshold and shows agreement with experimental and simulated data over a wide range of porosities. Our approach suggests that the permeability explicitly depends on the overlapping probability of grains rather than their shape.

physics.flu-dyn↗

arXiv2012

Jammed Spheres: Minkowski Tensors Reveal Onset of Local Crystallinity

The local structure of disordered jammed packings of monodisperse spheres without friction, generated by the Lubachevsky-Stillinger algorithm, is studied for packing fractions above and below 64%. The structural similarity of the particle environments to fcc or hcp crystalline packings (local crystallinity) is quantified by order metrics based on rank-four Minkowski tensors. We find a critical packing fraction ϕ_c \approx 0.649, distinctly higher than previously reported values for the contested random close packing limit. At ϕ_c, the probability of finding local crystalline configurations first becomes finite and, for larger packing fractions, increases by several orders of magnitude. This provides quantitative evidence of an abrupt onset of local crystallinity at ϕ_c. We demonstrate that the identification of local crystallinity by the frequently used local bond-orientational order metric q_6 produces false positives, and thus conceals the abrupt onset of local crystallinity. Since the critical packing fraction is significantly above results from mean-field analysis of the mechanical contacts for frictionless spheres, it is suggested that dynamic arrest due to isostaticity and the alleged geometric phase transition in the Edwards framework may be disconnected phenomena.

cond-mat.soft↗

arXiv2010

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 $0\leq β_ν^{a,b}\leq 1$ 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 $β_ν^{a,b}\approx 0.3$ for vapor phases to $β_ν^{a,b}\to 1$ 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 $β_ν^{a,b}$ 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.

cond-mat.stat-mech↗