Related papers: Aperiodic defects in periodic solids
When a symmetry gets spontaneously broken in a phase transition, topological defects are typically formed. The theoretical picture of how this happens in a breakdown of a global symmetry, the Kibble-Zurek mechanism, is well established and…
Regulation of topological structures and pattern formation is attracting wide interest in the field of condensed matter. Liquid crystals (LCs) represent soft matter with a remarkable combination of fluidity and anisotropic properties.…
We present a systematic methodology for the accurate calculation of defect structures in supercells which we illustrate with a study of the neutral vacancy in silicon. This is a prototypical defect which has been studied extensively using…
Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) and optical (e.g. absorption and emission) processes critical…
We report about a mechanism for surface localization, present in finite defect-free polyatomic lattices described by a tight binding model. Numerical diagonalization and degenerated perturbation theory show that there is a minimum number of…
The state-of-the art proof of a global inf-sup condition on mixed finite element schemes does not allow for an analysis of truly indefinite, second-order linear elliptic PDEs. This paper, therefore, first analyses a nonconforming finite…
In recent years, the immersed finite element methods (IFEM) introduced in \cite{Li2003}, \cite{Li2004} to solve elliptic problems having an interface in the domain due to the discontinuity of coefficients are getting more attentions of…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
We compute the defect entanglement entropy for co-dimension two superconformal monodromy defects in well known maximally symmetric holographic theories of various dimension. In each case we explicitly relate the universal part of the defect…
A systematic procedure for obtaining defect structures through cyclic deformation chains is introduced and explored in detail. The procedure outlines a set of rules for analytically constructing constraint equations that involve the finite…
For non-topological quantum materials, introducing defects can significantly alter their properties by modifying symmetry and generating a nonzero analytical index, thus transforming the material into a topological one. We present a method…
The framework of this article is cell motility modeling. Approximating cells as rigid spheres we take into account for both non-penetration and adhesions forces. Adhesions are modeled as a memory-like microscopic elastic forces. This leads…
Conventional defect detection systems in Automated Fibre Placement (AFP) typically rely on end-to-end supervised learning, necessitating a substantial number of labelled defective samples for effective training. However, the scarcity of…
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use…
Photonic topological materials with a broken time reversal symmetry are characterized by nontrivial topological phases, such that they do not support propagation in the bulk region but forcibly support a nontrivial net number of…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
This note is intended as an introduction to the functorial formulation of quantum field theories with defects. After some remarks about models in general dimension, we restrict ourselves to two dimensions - the lowest dimension in which…
The scattered field formalism is combined to the particle-in-cell method to model relativistic laser-plasma dynamics in complex field configurations. Despite the strong nonlinearity of the interactions, we demonstrate the validity of this…