Related papers: Aperiodic defects in periodic solids

We propose a new nonconforming \(P_1\) finite element method for elliptic interface problems. The method is constructed on a locally anisotropic mixed mesh, which is generated by fitting the interface through a simple connection of…

Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…

We discuss in this paper the lattice discretizations of all topological defect lines (TDLs) for diagonal, minimal CFTs, using integrable restricted solid-on-solid (RSOS) models. For these CFTs, the TDLs can be labeled by the Kac labels. In…

In a previous paper a method was developed to subtract the interactions due to periodically replicated charges (or other long-range entities) in one spatial dimension. The method constitutes a generalized "electrostatic layer correction"…

We use three-dimensional phase-field simulations to investigate the dynamics of the two-phase composite patterns formed upon during solidification of eutectic alloys. Besides the spatially periodic lamellar and rod patterns that have been…

First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical properties. But current standard approach using the so-called…

We offer a streamlined and computationally powerful characterization of higher representations (higher charges) for defect operators under generalized symmetries, employing the powerful framework of Symmetry TFT $\mathcal{Z}(\mathcal{C})$.…

We study the influence of anisotropy, treated as a dimensional crossover between 1D and 3D system, on the topological instability induced by a (self-consistent) uniaxial periodic potential. The mechanism on which the instability is based…

Field theories predict that phase transitions sequentially breaking continuous and discrete symmetries can generate hybrid topological structures in which defects of different dimensionalities merge. We report experimental and numerical…

This work is a follow-up to our previous work "A numerical approach related to defect-type theories for some weakly random problems in homogenization" (preprint available on this archive). It extends and complements, both theoretically and…

Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…

Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, 3D coordinate-space representation is used, and infinite-domain calculations are limited to a finite volume…

The presence of corners in the computational domain, in general, reduces the regularity of solutions of parabolic problems and diminishes the convergence properties of the finite element approximation introducing a so-called "pollution…

This paper rigorously solves the challenging problem of recognizing periodic patterns under rigid motion in Euclidean geometry. The 3-dimensional case is practically important for justifying the novelty of solid crystalline materials…

Atomic Force Microscopy (AFM) combined with electrical modes provides a powerful contactless approach to characterize material electrical properties at the nanoscale. However, conventional electrostatic models often overlook dynamic charge…

A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect…

We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform…

We explore higher-dimensional conformal field theories (CFTs) in the presence of a conformal defect that itself hosts another sub-dimensional defect. We refer to this new kind of conformal defect as the composite defect. We elaborate on the…

In models in which some of the scalar field are charged and some uncharged, interactions with a finite temperature plasma will lead to corrections to the effective potential of the charged fields which may stabilize embedded defects made up…

Defect physics is at the heart of microelectronics. By keeping track of the reference energy in total energy calculations, we explicitly show that the "potential alignment" correction vanishes, and the classic Markov-Payne correction yields…