Michael S. Dimitriyev

Entangled structures, such as textiles and architected materials, are often doubly periodic. Owing to this property and their finite transverse thickness, the symmetries of these materials are described by the crystallographic layer groups. While orbifold notation provides a compact topological description and classification of the planar wallpaper groups, no analogous framework has been available for the spatial layer groups. In this article, we develop an orbifold theory in three dimensions and introduce a complete set of Conway-type symbols for all layer groups. To illustrate its applicability, we analyse several knitted fabric motifs and show how their layer-group symmetries are naturally expressed in this new orbifold notation. This work establishes a foundation for the topological classification of doubly periodic structures beyond the planar setting. This article is part of the theme issue ‘Geometry, materials and the imagination’.

Machine learning and high throughput experimentation have heavily influenced the way scientific study is done with demonstrated successes in nearly every field.

We study the thermodynamics of continuous transformations between two canonical, cubic network phases of block copolymer melts: double-gyroid, an equilibrium morphology for many systems, and double-diamond, often thought to be a close competitor. We use a strong-segregation approach to compute the free energy of double network morphologies as a function of two structural parameters that convert between two limiting cubic cases: a tetragonal stretch of the unit cell in combination with fusion of pairs of trihedal gyroid nodes into tetrahedral diamond nodes. For the simplest case of conformationally symmetric diblock melts, we find that cubic double-diamond sits at an unstable saddle point that is continuously deformable into the lower free energy gyroid, as well as a second metastable, tetragonal network composed of trihedral nodes. We confirm the broad instability of double-diamond at finite segregation using self-consistent field studies and further show that it derives directly from the entropic free energy cost of chain packing in the tubular domains of tetrahedral nodes. Correspondingly, we demonstrate two factors that quench the entropic cost of packing in the tubular domain─homopolymer blending and elastic asymmetry between the blocks─and promote double-diamond to a metastable state by way of a free energy barrier that separates it from double-gyroid.

We investigate the mechanical behavior of jammed knitted fabrics, where geometric confinement leads to an initially stiff mechanical response that softens into low stiffness behavior with additional applied stress. We show that the jammed regime is distinguished by changes in yarn geometry and contact rearrangement that must occur to allow the individual stitches to stretch. These rearrangements allow for the relaxation of high residual stresses that are present within jammed fabric, altering the low-strain response. We demonstrate that fabric jamming can be induced or reduced by changing either the constituent yarn or the fabric manufacturing parameters. Analysis of experimental samples shows that changing the "stitch size" in manufacturing affects both the in situ yarn radius and the length of yarn per stitch, both of which affect jamming.

The chirality of links in molecular chainmail dictates the overall Gaussian curvature of the networks.

Digital reconstruction of mesoscale fibrillar arrays reveals the influence of multiscale forces in controlling their mesoscale morphology.

We explore the potential of nanocrystals (a term used equivalently to nanoparticles) as building blocks for nanomaterials, and the current advances and open challenges for fundamental science developments and applications. Nanocrystal assemblies are inherently multiscale, and the generation of revolutionary material properties requires a precise understanding of the relationship between structure and function, the former being determined by classical effects and the latter often by quantum effects. With an emphasis on theory and computation, we discuss challenges that hamper current assembly strategies and to what extent nanocrystal assemblies represent thermodynamic equilibrium or kinetically trapped metastable states. We also examine dynamic effects and optimization of assembly protocols. Finally, we discuss promising material functions and examples of their realization with nanocrystal assemblies.

Amphiphiles self-assemble into a variety of bicontinuous mesophases whose equilibrium structures take the form of high-symmetry cubic networks. Here, we show that the symmetry-breaking distortions in these systems give rise to anomalously large, nonaffine collective deformations, which we argue to be a generic consequence of “mass equilibration” within deformed networks. We propose and study a minimal “liquid network” model of bicontinuous networks, in which acubic distortions are modeled by the relaxation of residually stressed mechanical networks with constant-tension bonds. We show that nonaffinity is strongly dependent on the valency of the network as well as the degree of strain-softening or strain-stiffening tension in the bonds. Taking diblock copolymer melts as a model system, liquid network theory captures quantitative features of two bicontinuous phases based on comparison with self-consistent field theory predictions and direct experimental characterization of acubic distortions, which are likely to be pronounced in soft amphiphilic systems more generally.

Knitting turns yarn, a 1D material, into a 2D fabric that is flexible, durable, and can be patterned to adopt a wide range of 3D geometries. Like other mechanical metamaterials, the elasticity of knitted fabrics is an emergent property of the local stitch topology and pattern that cannot solely be attributed to the yarn itself. Thus, knitting can be viewed as an additive manufacturing technique that allows for stitch-by-stitch programming of elastic properties and has applications in many fields ranging from soft robotics and wearable electronics to engineered tissue and architected materials. However, predicting these mechanical properties based on the stitch type remains elusive. Here we untangle the relationship between changes in stitch topology and emergent elasticity in several types of knitted fabrics. We combine experiment and simulation to construct a constitutive model for the nonlinear bulk response of these fabrics. This model serves as a basis for composite fabrics with bespoke mechanical properties, which crucially do not depend on the constituent yarn.