Related papers: Exact Crystalline Structure Recovery in X-ray Crys…
We propose an efficient algorithm to analyze $3D$ atomic resolution crystal images based on a fast $3D$ synchrosqueezed wave packet transform. The proposed algorithm can automatically extract microscopic information from $3D$ atomic…
We perform a theoretical and numerical study of the optical properties of both direct and inverse three-dimensional (3D) chiral woodpile structures, and a corresponding chiral Bragg stack. We compute transmission spectra in the helical…
Since Perutz, Kendrew and colleagues unveiled the structure of hemoglobin and myoglobin based on X-ray diffraction analysis in the 1950s, X-ray crystallography has become the primary methodology used to determine the 3D structure of…
The low-density imaging performance of a zone plate based nano-resolution hard X-ray computed tomography (CT) system can be significantly improved by incorporating a grating-based Lau interferometer. Due to the diffraction, however, the…
A method for solving the inverse problem of designing the structure of a one-dimensional photonic crystal is proposed and experimentally implemented. It is known that a one-dimensional photonic crystal with a spatial sinusoidal modulation…
We present a structured-illumination technique for full-field super-resolution transmission X-ray microscopy, which employs Fourier spectral decomposition inspired by established methods in visible-light microscopy. A 2D grating creating…
Fourier ptychography is a recently explored imaging method for overcoming the diffraction limit of conventional cameras with applications in microscopy and yielding high-resolution images. In order to splice together low-resolution images…
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…
Strain and defects in crystalline materials are responsible for the distinct mechanical, electric and magnetic properties of a desired material, making their study an essential task in material characterization, fabrication and design.…
Crystal structure prediction (CSP) stands as a powerful tool in materials science, driving the discovery and design of innovative materials. However, existing CSP methods heavily rely on formation enthalpies derived from density functional…
Dynamical diffraction effects always play a role when working with perfect single crystals. The penetration of X-rays respect to the surface normal during diffraction (extinction depth, $1/\sigma_e$) in perfect single crystals does not have…
A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…
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…
Presented here is decryst, a software suite for structure determination from powder diffraction, which uses the direct space method, and is able to apply anti-bump constraints automatically and efficiently during the procedure of global…
Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the…
We demonstrate that powder diffraction data can be collected from sub-micron crystals of a mbrane protein with nearly two orders of magnitude more atoms than the molecules commonly used for powder diffraction. The crystals of photosystem-1…
The x-ray diffraction (XRD) patterns reported for starch in the literature describes it as a semicrystalline polymer that indicates that amorphous and crystalline regions form it, and this is commonly accepted. However, these patterns have…
Serial crystallography is the field of science that studies the structure and properties of crystals via diffraction patterns. In this paper, we introduce a new serial crystallography dataset comprised of real and synthetic images; the…
X-ray diffraction with high spatial resolution is a prerequisite for the characterization of (poly)-crystalline materials on micro- or nanoscopic scales. This can be achieved by utilizing a focused X-ray beam and scanning of the sample.…
The calculation of crystal structure from X-ray diffraction data requires that the phases of the ``structure factors'' (Fourier coefficients) determined by scattering be deduced from the absolute values of those structure factors. Motivated…