Correction: Pure measures of bending for soft plates.

Correction for 'Pure measures of bending for soft plates' by Epifanio G. Virga, Soft Matter, 2024, https://doi.org/10.1039/D3SM01123B.

Pure measures of bending for soft plates.

This paper, originally motivated by a question raised by Wood and Hanna [Soft Matter, 2019, 15, 2411], shows that pure measures of bending for soft plates can be defined by introducing the class of bending-neutral deformations, which represent finite incremental changes in the plate's shape that do not induce any additional bending. This class of deformations is subject to a geometric compatibility condition, which is fully characterized. A tensorial pure measure of bending, which is invariant under bending-neutral deformations, is described in detail. As shown by an illustrative class of examples, the general notion of a pure measure of bending could be useful in formulating direct theories for soft plates, where stretching and bending energies are treated separately.

A Ribbon Model for Nematic Polymer Networks.

We present a theory of deformation of ribbons made of nematic polymer networks (NPNs). These materials exhibit properties of rubber and nematic liquid crystals, and can be activated by external stimuli of heat and light. A two-dimensional energy for a sheet of such a material has already been derived from the celebrated neo-classical energy of nematic elastomers in three space dimensions. Here, we use a dimension reduction method to obtain the appropriate energy for a ribbon from the aforementioned sheet energy. We also present an illustrative example of a rectangular NPN ribbon that undergoes in-plane serpentine deformations upon activation under an appropriate set of boundary conditions.

Geometric method to determine planar anchoring strength for chromonics.

Chromonic nematics are lyotropic liquid crystals that have already been known for half a century, but have only recently raised interest for their potential applications in life sciences. Determining elastic constants and anchoring strengths for rigid substrates has thus become a priority in the characterization of these materials. Here we present a method to determine chromonics' planar anchoring strength. We call it geometric as it is based on recognition and fitting of the stable equilibrium shapes of droplets surrounded by the isotropic phase in a thin cell with plates enforcing parallel alignments of the nematic director. We apply our method to shapes observed in experiments; they resemble elongated rods with round ends, which are called bâtonnets. Our theory also predicts other droplets' equilibrium shapes, which are either slender and round, called discoids, or slender and pointed, called tactoids. In particular, sufficiently small droplets are expected to display shape bistability, with two equilibrium shapes, one tactoid and one discoid, exchanging roles as stable and metastable shapes upon varying their common area.

Paradoxes for chromonic liquid crystal droplets.

Chromonic liquid crystals constitute a novel lyotropic phase, whose elastic properties have so far been modeled within the classical Oseen-Frank theory, provided that the twist constant is assumed to be considerably smaller than the saddle-splay constant, in violation of one Ericksen inequality. This paper shows that paradoxical consequences follow from such a violation for droplets of these materials surrounded by an isotropic fluid. For example, tactoids with a degenerate planar anchoring simply disintegrate indefinitely in myriads of smaller ones.

Shape bistability in 2D chromonic droplets.

An extensive experimental study of the shapes of two-dimensional bipolar droplets of the chromonic nematic phase of disodium cromoglycate (DSCG) sandwiched between glass plates, by Kimet alwas published in (2013J. Phys.: Condens. Matter25404202). The paper includes a mathematical model of this system. We have extended this study by further theoretical modelling. Our results are in good, quantitative agreement with the experimental data. The model has produced what promises to be a more accurate estimate for the isotropic surface tension at the nematic/isotropic solution interface-and predicts a regime of shape bistability (which has not yet been observed) for larger droplets, where tactoids (pointed, zeppelin-shaped droplets) and smooth-edged discoids can coexist in equilibrium. The general method presented in this paper is also applied to the tactoids formed by F-actin filaments in solution, for which an estimate is given for the value of the isotropic surface tension at the nematic/isotropic interface.

Leaky cell model of hard spheres.

We study packings of hard spheres on lattices. The partition function, and therefore the pressure, may be written solely in terms of the accessible free volume, i.e., the volume of space that a sphere can explore without touching another sphere. We compute these free volumes using a leaky cell model, in which the accessible space accounts for the possibility that spheres may escape from the local cage of lattice neighbors. We describe how elementary geometry may be used to calculate the free volume exactly for this leaky cell model in two- and three-dimensional lattice packings and compare the results to the well-known Carnahan-Starling and Percus-Yevick liquid models. We provide formulas for the free volumes of various lattices and use the common tangent construction to identify several phase transitions between them in the leaky cell regime, indicating the possibility of coexistence in crystalline materials.

Nematic tactoid population.

Tactoids are pointed, spindlelike droplets of nematic liquid crystal in an isotropic fluid. They have long been observed in inorganic and organic nematics, in thermotropic phases as well as lyotropic colloidal aggregates. The variational problem of determining the optimal shape of a nematic droplet is formidable and has only been attacked in selected classes of shapes and director fields. Here, by considering a special class of admissible solutions for a bipolar droplet, we study the prevalence in the population of all equilibrium shapes of each of the three that may be optimal (tactoids primarily among them). We show how the prevalence of a shape is affected by a dimensionless measure α of the drop's volume and the ratios k_{24} and k_{3} of the saddle-splay constant K_{24} and the bending constant K_{33} of the material to the splay constant K_{11}. Tactoids, in particular, prevail for α⪅16.2+0.3k_{3}-(14.9-0.1k_{3})k_{24}. Our class of shapes (and director fields) is sufficiently different from those employed so far to unveil a rather different role of K_{24}.

Ridge energy for thin nematic polymer networks.

Minimizing the elastic free energy of a thin sheet of nematic polymer network among smooth isometric immersions is the strategy purported by the mainstream theory. In this paper, we broaden the class of admissible spontaneous deformations: we consider ridged isometric immersions, which can cause a sharp ridge in the immersed surfaces. We propose a model to compute the extra energy distributed along such ridges. This energy comes from bending; it is shown under what circumstances it scales quadratically with the sheet's thickness, falling just in between stretching and bending energies. We put our theory to the test by studying the spontaneous deformation of a disk on which a radial hedgehog was imprinted at the time of crosslinking. We predict the number of folds that develop in terms of the degree of order induced in the material by external agents (such as heat and illumination).

A blend of stretching and bending in nematic polymer networks.

Nematic polymer networks are (heat and light) activable materials, which combine the features of rubber and nematic liquid crystals. When only the stretching energy of a thin sheet of nematic polymer network is minimized, the intrinsic (Gaussian) curvature of the shape it takes upon (thermal or optical) actuation is determined. This, unfortunately, produces a multitude of possible shapes, for which we need a selection criterion, which may only be provided by a correcting bending energy depending on the extrinsic curvatures of the deformed shape. The literature has so far offered approximate corrections depending on the mean curvature. In this paper, we derive the appropriate bending energy for a sheet of nematic polymer network from the celebrated neo-classical energy of nematic elastomers in three space dimensions. This task is performed via a dimension reduction based on a modified Kirchhoff-Love hypothesis, which withstands the criticism of more sophisticated analytical tools. The result is a surface elastic free-energy density where stretching and bending are blended together; they may or may not be length-separated, and should be minimized together. The extrinsic curvatures of the deformed shape not only feature in the bending energy through the mean curvature, but also through the relative orientation of the nematic director in the frame of the directions of principal curvatures.

Liquid crystal distortions revealed by an octupolar tensor.

The classical theory of liquid crystal elasticity as formulated by Oseen and Frank describes the (orientable) optic axis of these soft materials by a director n. The ground state is attained when n is uniform in space; all other states, which have a nonvanishing gradient ∇n, are distorted. This paper proposes an algebraic (and geometric) way to describe the local distortion of a liquid crystal by constructing from n and ∇n a third-rank, symmetric, and traceless tensor A (the octupolar tensor). The (nonlinear) eigenvectors of A associated with the local maxima of its cubic form Φ on the unit sphere (its octupolar potential) designate the directions of distortion concentration. The octupolar potential is illustrated geometrically and its symmetries are charted in the space of distortion characteristics, so as to educate the eye to capture the dominating elastic modes. Special distortions are studied, which have everywhere either the same octupolar potential or one with the same shape but differently inflated.

Uniform distortions and generalized elasticity of liquid crystals.

Ordinary nematic liquid crystals are characterized by having a uniform director field as ground state. In such a state, the director is the same everywhere and no distortion is to be seen at all. We give a definition of uniform distortion which makes precise the intuitive notion of seeing everywhere the same director landscape. We characterize all such distortions and prove that they fall into two families, each described by two scalar parameters. Uniform distortions exhaust R. Meyer's heliconical structures, which, as it has recently been recognized, include the ground state of twist-bend nematics. The generalized elasticity of these new phases is treated with a simple free-energy density, which can be minimized by both uniform and nonuniform distortions, the latter injecting a germ of elastic frustration.

Non-monotonic, lily-like twist distribution in toroidal nematics.

Toroidal nematics are droplets of nematic liquid crystals in the form of a circular torus. When the nematic director is subject to planar degenerate boundary conditions, the bend-only director field with vector lines along the parallels of all nested torodial shells is an equilibrium solution for all values of the elastic constants. Local stability analyses have shown that an instability is expected to occur for sufficiently small values of the twist elastic constant. It is natural to wonder whether in this regime the global equilibrium would be characterized by a monotonic twist, or not. In the former case, the twist distribution over the torus' circular cross-section would be represented pictorially by a fennel-like surface emanating from the centre. We prove that instead the stable twist distribution is represented by a lily-like surface. Thus, generically the twist distribution is not monotonic and its maximum may fall well within the torus, far away from the boundary. To cope with the peculiar complexity of the elastic free-energy functional in the fully non-linear setting, we developed an ad hoc deep-learning optimization method, which here is also further validated and documented for it promises to be applicable to other similar problems, equally intractable analytically.

Lifting ordered surfaces: Ellipsoidal nematic shells.

When a material surface is functionalized so as to acquire some type of order, functionalization of which soft condensed matter systems have recently provided many interesting examples, the modeler faces an alternative. Either the order is described on the curved, physical surface where it belongs, or it is described on a flat surface that is unrolled as preimage of the physical surface under a suitable height function. This paper applies a general method that pursues the latter avenue by lifting whatever order tensor is deemed appropriate from a flat to a curved surface. We specialize this method to nematic shells, for which it also provides a simple but perhaps convincing interpretation of the outcomes of some molecular dynamics experiments on ellipsoidal shells.

Onsager's missing steps retraced.

Onsager's paper on phase transition and phase coexistence in anisotropic colloidal systems is a landmark in the theory of lyotropic liquid crystals. However, an uncompromising scrutiny of Onsager's original derivation reveals that it would be rigorously valid only for ludicrous values of the system's number density (of the order of the reciprocal of the number of particles). Based on Penrose's tree identity and an appropriate variant of the mean-field approach for purely repulsive, hard-core interactions, our theory shows that Onsager's theory is indeed valid for a reasonable range of densities.

Density functional theory for dense nematic liquid crystals with steric interactions.

The celebrated work of Onsager on hard particle systems, based on the truncated second order virial expansion, is valid at relatively low volume fractions for large aspect ratio particles. While it predicts the isotropic-nematic phase transition, it does not provide a realistic equation of state in that the pressure remains finite for arbitrarily high densities. In this work, we derive a mean field density functional form of the Helmholtz free energy for nematics with hard core repulsion. In addition to predicting the isotropic-nematic transition, the model provides a more realistic equation of state. The energy landscape is much richer, and the orientational probability distribution function in the nematic phase possesses a unique feature-it vanishes on a nonzero measure set in orientation space.

Bistable curvature potential at hyperbolic points of nematic shells.

Nematic shells are colloidal particles coated with nematic liquid crystal molecules which may freely glide and rotate on the colloid's surface while keeping their long axis on the local tangent plane. We describe the nematic order on a shell by a unit director field on an orientable surface. Equilibrium fields can then be found by minimising the elastic energy, which in general is a function of the surface gradient of the director field. We learn how to extract systematically out of this energy a fossil component, related only to the surface and its curvatures, which expresses a curvature potential for the molecular torque. At hyperbolic points on the colloid's surface, and only there, the alignment preferred by the curvature potential may fail to be a direction of principal curvature. There the fossil energy becomes bistable.

Octupolar order in three dimensions.

Octupolar order in three space dimensions is described by a real-valued, fully symmetric and traceless, third-rank tensor A. The real generalized eigenvalues of A are also the critical values of a real-valued potential [Formula: see text] defined on the unit sphere [Formula: see text] by A. Generalized eigenvalues of A and critical points of [Formula: see text] are equivalent means to describe octupolar order in a molecular assembly according to Buckingham's formula for the probability density distribution. Intuition suggests that [Formula: see text] would generically have four maxima, corresponding to the most probable molecular orientations, so that a (possibly distorted) tetrahedron would effectively describe A. This paper shows that another generic octupolar state flanks the expected one, featuring three maxima of [Formula: see text]. The two generic states are divided by a separatrix manifold, which may physically represent an intra-octupolar transition.

Interfacial and morphological features of a twist-bend nematic drop.

In this experimental and theoretical study, we examine the equilibrium shapes of quasi-two-dimensional twist-bend nematic (Ntb) drops formed within a planarly aligned nematic layer of the liquid crystal CB7CB. Initially, at the setting point of the Ntb phase, the drops assume a nonequilibrium cusped elliptical geometry with the major axis orthogonal to the director of the surrounding nematic fluid; this growth is governed principally by anisotropic heat diffusion. The drops attain equilibrium through thermally driven dynamical evolution close to their melting temperature. They are associated with a characteristic twin-striped morphology that transforms into the familiar focal conic texture as the temperature is lowered. At equilibrium, large millimetric drops are tactoidlike, elongated along the director of the surrounding nematic fluid. This geometry is explained using a mathematical model that features two dimensionless parameters, of which one is the structural cone angle of the Ntb phase and the other is the relative strength of mismatch elastic energy at the drop's interface. Both parameters are extracted from the observations by measuring the aspect ratio of the equilibrium shapes and the inner corner angle of the cusps.

Octupolar order in two dimensions.

Octupolar order is described in two space dimensions in terms of the maxima (and conjugated minima) of the probability density associated with a third-rank, fully symmetric and traceless tensor. Such a representation is shown to be equivalent to diagonalizing the relevant third-rank tensor, an equivalence which however is only valid in the two-dimensional case.