Related papers: Geometric deformations of sodalite frameworks
The static and dynamic properties of a Cosserat-type lattice interface of finite thickness are studied, so that both displacements and rotational degrees of freedom are taken into account. The model allows considering interfaces with a…
Research in the field of Materials Science and Engineering focuses on the design, synthesis, properties, and performance of materials. An important class of materials that is widely investigated are crystalline materials, including metals…
We study the joint variability of structural information in a hard sphere fluid biased to avoid crystallisation and form fivefold symmetric geometric motifs. We show that the structural covariance matrix approach, originally proposed for…
Quadratic surfaces gain more and more attention among the Geometric Algebra community and some frameworks were proposed in order to represent, transform, and intersect these quadratic surfaces. As far as the authors know, none of these…
One of the greatest challenges facing our society is the discovery of new innovative crystal materials with specific properties. Recently, the problem of generating crystal materials has received increasing attention, however, it remains…
This paper introduces a set of numerical methods for Riemannian shape analysis of 3D surfaces within the setting of invariant (elastic) second-order Sobolev metrics. More specifically, we address the computation of geodesics and geodesic…
Liquid crystals with molecules constrained to the tangent bundle of a curved surface show interesting phenomena resulting from the tight coupling of the elastic and bulk free energies of the liquid crystal with geometric properties of the…
Soft materials with a liquid component are an emerging paradigm in materials design. The incorporation of a liquid phase, such as water, liquid metals, or complex fluids, into solid materials imparts unique properties and characteristics…
Sobolev spaces are a natural framework for the analysis of problems in partial differential equations and calculus of variations. Some physical and geometric contexts, such as liquid crystals models and harmonic maps, lead to consider…
We discuss the behavior of a crystalline surface with a disordered substrate. We focus on the possible existence of a {\em super-rough} glassy phase, with height-height correlation functions which vary as the square logarithm of the…
Theoretical calculations, computer simulations and experiments indicate the possible existence of a ferromagnetic liquid state. Should such a state exist, demagnetization effects would force a nontrivial magnetization texture governed by…
Using density functional theory (DFT), we investigate mechanical properties of a few 2D metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) having Dirac and flat bands. These porous materials have become a subject of…
Topological defects (TDs) are crucial for understanding important physical properties of crystalline materials including mechanical failure, ion transport, and two-dimensional melting. This concept has not translated to disordered materials…
Solid materials possess both long-range order and some degree of disorder are critical for understanding the nature of crystal and glassy state, but how to controllable introduce specific type of disorder into a crystalline material is a…
A complete characterization is given of the possible macroscopic deformations of periodic nonlinear affine unimode metamaterials constructed from rigid bars and pivots. The materials are affine in the sense that their macroscopic…
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…
Crystalline structure prediction is an essential prerequisite for designing materials with targeted properties. Yet, it is still an open challenge in materials design and drug discovery. Despite recent advances in computational materials…
Smectic liquid crystals are materials formed by stacking deformable, fluid layers. Though smectics prefer to have flat, uniformly-spaced layers, boundary conditions can impose curvature on the layers. Since the layer spacing and curvature…
Smooth parametrization consists in a subdivision of the mathematical objects under consideration into simple pieces, and then parametric representation of each piece, while keeping control of high order derivatives. The main goal of the…
The study of granular crystals, metamaterials that consist of closely packed arrays of particles that interact elastically, is a vibrant area of research that combines ideas from disciplines such as materials science, nonlinear dynamics,…