On Three-Dimensional Space Groups

An entirely new and independent enumeration of the crystallographic space groups is given, based on obtaining the groups as fibrations over the plane crystallographic groups, when this is possible. For the 35 ``irreducible'' groups for which it is not, an independent method is used that has the advantage of elucidating their subgroup relationships. Each space group is given a short ``fibrifold name'' which, much like the orbifold names for two-dimensional groups, while being only specified up to isotopy, contains enough information to allow the construction of the group from the name.Comment: 26 pages, 8 figure

Skeletonization and Partitioning of Digital Images Using Discrete Morse Theory

We show how discrete Morse theory provides a rigorous and unifying foundation for defining skeletons and partitions of grayscale digital images. We model a grayscale image as a cubical complex with a real-valued function defined on its vertices (the voxel values). This function is extended to a discrete gradient vector field using the algorithm presented in Robins, Wood, Sheppard TPAMI 33:1646 (2011). In the current paper we define basins (the building blocks of a partition) and segments of the skeleton using the stable and unstable sets associated with critical cells. The natural connection between Morse theory and homology allows us to prove the topological validity of these constructions; for example, that the skeleton is homotopic to the initial object. We simplify the basins and skeletons via Morse-theoretic cancellation of critical cells in the discrete gradient vector field using a strategy informed by persistent homology. Simple working Python code for our algorithms for efficient vector field traversal is included. Example data are taken from micro-CT images of porous materials, an application area where accurate topological models of pore connectivity are vital for fluid-flow modelling

Three‐periodic nets and tilings: regular and quasiregular nets

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/115935/1/S0108767302018494.pd

Three‐periodic nets and tilings: semiregular nets

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/115982/1/S0108767303017100.pd

Minimal nets and minimal minimal surfaces

The 3-periodic nets of genus 3 ('minimal nets') are reviewed and their symmetries re-examined. Although they are all crystallographic, seven of the 15 only have maximum-symmetry embeddings if some links are allowed to have zero length. The connection bet

Three‐periodic nets and tilings: minimal nets

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/116005/1/S0108767304015442.pd

Polynomials for Crystal Frameworks and the Rigid Unit Mode Spectrum

To each discrete translationally periodic bar-joint framework \C in \bR^d we associate a matrix-valued function \Phi_\C(z) defined on the d-torus. The rigid unit mode spectrum \Omega(\C) of \C is defined in terms of the multi-phases of phase-periodic infinitesimal flexes and is shown to correspond to the singular points of the function z \to \rank \Phi_\C(z) and also to the set of wave vectors of harmonic excitations which have vanishing energy in the long wavelength limit. To a crystal framework in Maxwell counting equilibrium, which corresponds to \Phi_\C(z) being square, the determinant of \Phi_\C(z) gives rise to a unique multi-variable polynomial p_\C(z_1,\dots,z_d). For ideal zeolites the algebraic variety of zeros of p_\C(z) on the d-torus coincides with the RUM spectrum. The matrix function is related to other aspects of idealised framework rigidity and flexibility and in particular leads to an explicit formula for the number of supercell-periodic floppy modes. In the case of certain zeolite frameworks in dimensions 2 and 3 direct proofs are given to show the maximal floppy mode property (order $N$). In particular this is the case for the cubic symmetry sodalite framework and some other idealised zeolites.Comment: Final version with new examples and figures, and with clearer streamlined proof

Nets with collisions (unstable nets) and crystal chemistry

Nets in which different vertices have identical barycentric coordinates (i.e. have collisions) are called unstable. Some such nets have automorphisms that do not correspond to crystallographic symmetries and are called non-crystallographic. Examples are

Isogonal non-crystallographic periodic graphs based on knotted sodalite cages

This work considers non-crystallographic periodic nets obtained from multiple identical copies of an underlying crystallographic net by adding or flipping edges so that the result is connected. Such a structure is called a `ladder' net here because the 1-periodic net shaped like an ordinary (infinite) ladder is a particularly simple example. It is shown how ladder nets with no added edges between layers can be generated from tangled polyhedra. These are simply related to the zeolite nets SOD, LTA and FAU. They are analyzed using new extensions of algorithms in the program Systre that allow unambiguous identification of locally stable ladder nets