Related papers: Identifying and Indexing Icosahedral Quasicrystals…
Determining crystal symmetry from powder X-ray diffraction is a central problem in materials characterization, yet multiple space groups can produce indistinguishable patterns, making automated classification difficult. We show that…
Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of new materials. Powder X-ray diffraction is a key technique in…
Quasicrystals are one kind of space-filling structures. The traditional crystalline approximant method utilizes periodic structures to approximate quasicrystals. The errors of this approach come from two parts: the numerical discretization,…
We present an efficient machine learning framework for detection and classification of nanoparticles on surfaces that are detected in the far-field with Coherent Fourier Scatterometry (CFS). We study silicon wafers contaminated with…
A multilayered particle is illuminated by plane acoustic or electromagnetic waves of one or several frequencies. We consider the inverse scattering problem for the identification of the layers and of the refraction coefficients of the…
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
Orientation determination does not necessarily require complete knowledge of the local atomic arrangement in a material. We present a method for microstructural phase discrimination and orientation analysis of phases for which there is only…
We consider the problem of extraction and validation of matching rules, directly from the phased diffraction data of a quasicrystal, and propose an algorithmic procedure to produce the rules of the shortest possible range. We have developed…
We present spherical analysis of electron backscatter diffraction (EBSD) patterns with two new algorithms: (1) band localisation and band profile analysis using the spherical Radon transform; (2) orientation determination using spherical…
Quasicrystals are frequently encountered in condensed matter. They are important candidates for equilibrium phases from the atomic scale to the nanoscale. Here, we investigate the computational self-assembly of four quasicrystals in a…
Recently, much research concerning the combination of nano-scale waveguides with nano-crystals and other nano-particles has been reported, because of possible applications in the field of quantum information and communication. The most…
Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…
We present a so-called fuzzy watermarking scheme based on the relative frequency of error in observing qubits in a dissimilar basis from the one in which they were written. Then we discuss possible attacks on the system and speculate on how…
We determine the range of thicknesses and refractive indices for which omnidirectional reflection from quasiperiodic multilayers occurs. By resorting to the notion of area under the transmittance curve, we assess in a systematic way the…
Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model…
Icosahedral quasicrystals (IQCs) with extremely high degrees of translational order have been produced in the laboratory and found in naturally occurring minerals, yet questions remain about how IQCs form. In particular, the fundamental…
The theory of magnetic symmetry in quasicrystals is used to characterize the nature of magnetic peaks, expected in elastic neutron diffraction experiments. It is established that there is no symmetry-based argument which forbids the…
All known optical materials have an index of refraction of order unity. Despite the tremendous implications that an ultrahigh index could have for optical technologies, little research has been done on why the refractive index of materials…
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…
In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…