Related papers: A Computer Program for Objective Point Symmetry Cl…
The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…
Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…
Electron backscatter diffraction (EBSD) is a well-established method of characterisation for crystalline materials. This technique can rapidly acquire and index diffraction patterns to provide phase and orientation information about the…
Crystallographic symmetry classifications from real-world images with periodicities in two dimensions (2D) are of interest to crystallographers and practitioners of computer vision studies alike. Currently, these classifications are…
Electron backscatter diffraction (EBSD) is a technique used to measure crystallographic features in the scanning electron microscope. The technique is highly automated and readily accessible in many laboratories. EBSD pattern indexing is…
Solution and analysis of mathematical programming problems may be simplified when these problems are symmetric under appropriate linear transformations. In particular, a knowledge of the symmetries may help reduce the problem dimension, cut…
A simple algorithm and a computational program to numerically compute the electric field gradient and the concomitant quadrupolar nuclear splitting is developed for an arbitrary ionic crystal. The calculations are performed using a point…
Neutron time-of-flight transmission spectra of mosaic crystals contain Bragg dips, i.e., minima at wavelengths corresponding to diffraction reflections. Positions of the dips are used for investigating crystal lattices. By rotating the…
The structural solution problem can be a daunting and time consuming task. Especially in the presence of impurity phases, current methods such as indexing become more unstable. In this work, we apply the novel approach of semi-supervised…
SOFTSUSY is a program which accurately calculates the spectrum of superparticles in the CP-conserving Minimal Supersymmetric Standard Model (MSSM), with a full flavour mixing structure. The program solves the renormalisation group equations…
This article presents a high-throughput computer program, called EasyDD, for batch processing, analyzing and visualizing of spectral data; particularly those related to the new generation of synchrotron detectors and X-ray powder…
We describe a lattice-based crystallographic approximation for the analysis of distorted crystal structures via Electron Backscatter Diffraction (EBSD) in the scanning electron microscope. EBSD patterns are closely linked to local lattice…
High-precision analyses of supersymmetry parameters aim at reconstructing the fundamental supersymmetric theory and its breaking mechanism. A well defined theoretical framework is needed when higher-order corrections are included. We…
The paper examines local approximation errors of finite difference schemes in electromagnetic analysis. Despite a long history of the subject, several accuracy-related issues have been overlooked and/or remain controversial. For example,…
The association of scanning transmission electron microscopy (STEM) and the detection of a diffraction pattern at each probe position (so-called 4D-STEM) represents one of the most promising approaches to analyze structural properties of…
Digital images from crystals, as projected from the third spatial dimension and recorded in atomic resolution with any kind of real-world microscope, feature necessarily broken symmetries of the translation-periodicity-restricted Euclidean…
We present a new domain-agnostic synthesis technique for generating programs from input-output examples. Our method, called metric program synthesis, relaxes the well-known observational equivalence idea (used widely in bottom-up…
Spectra of suitably chosen Pisot-Vijayaraghavan numbers represent non-trivial examples of self-similar Delone point sets of finite local complexity, indispensable in quasicrystal modeling. For the case of quadratic Pisot units we…
We present an algorithm for the determination of the local symmetry group for arbitrary k-points in 3D Brillouin zones. First, we test our implementation against tabulated results available for standard high-symmetry points (given by…
Controlling crystalline material defects is crucial, as they affect properties of the material that may be detrimental or beneficial for the final performance of a device. Defect analysis on the sub-nanometer scale is enabled by…