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The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality…

A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson

We present an image processing algorithm developed for quantitative analysis of directional solidification of metal alloys in thin cells using X-ray imaging. Our methodology allows to identify the fluid volume, fluid channels and cavities,…

Materials Science · Physics 2023-08-02 Mihails Birjukovs , Natalia Shevchenko , Sven Eckert

We demonstrate that a common-line method can assemble a 3D oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured 2D diffraction patterns, as proposed in experiments with an…

Biomolecules · Quantitative Biology 2007-10-16 V. L. Shneerson , A. Ourmazd , D. K. Saldin

X-ray microspectroscopic techniques are essential for studying morphological and chemical changes in materials, providing high-resolution structural and spectroscopic information. However, its practical data analysis for reliably retrieving…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Ting Wang , Xiaotong Wu , Jizhou Li , Chao Wang

We study X-ray diffraction in smectic liquid crystal multilayers. Such systems are fabricated as freely suspended films and have a unique layered structure. As such, they can be described as organic Bragg mirrors with sub-nanometer…

Soft Condensed Matter · Physics 2025-10-15 V. V. Samsonov , K. V. Nikolaev , B. I. Ostrovskii , S. N. Yakunin

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…

Understanding the processes of perovskite crystallization is essential for improving the properties of organic solar cells. In situ real-time grazing-incidence X-ray diffraction (GIXD) is a key technique for this task, but it produces large…

An algorithm is developed for structure identification of amorphous carbonaceous nanomaterials with a joint x-ray and neutron diffraction data analysis, using the data on the chemical composition of the sample from other diagnostics. The…

Materials Science · Physics 2013-01-16 V. S. Neverov , V. V. Voloshinov , A. B. Kukushkin , A. S. Tarasov

Determining the atomic-level structure of crystalline solids is critically important across a wide array of scientific disciplines. The challenges associated with obtaining samples suitable for single-crystal diffraction, coupled with the…

Optical methods are most convenient to analyze spatially periodic patterns with wavevector $\bm q$ in a thin layer of a nematic liquid crystal. In the standard experimental setup a beam of parallel light with a 'short' wavelength $\lambda…

Soft Condensed Matter · Physics 2015-06-15 Werner Pesch , Alexei Krekhov

The advent of nonlinear X-ray processes like sum-frequency generation and four-wave mixing raises the possibility of non-linear X-ray imaging, combining the high-resolution and elemental specificity of X-ray imaging with the state…

Optics · Physics 2025-12-18 Arnab Sarkar , Allan S. Johnson

Synthesis of new materials demands structural analysis tools suited to the particularities of each system. Van der Waals (vdW) materials are fundamental in emerging technologies of spintronics and quantum information processing, in…

X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which molecular crystals cannot be generated or the interaction-free…

The properties of semiconductors and functional dielectrics are defined by their response in electric fields, which may be perturbed by defects and the strain they generate. In this work, we demonstrate how diffraction-based X-ray…

Materials Science · Physics 2024-11-12 Trygve Magnus Ræder , Urko Petralanda , Thomas Olsen , Hugh Simons

We demonstrate a smart laser-diffraction analysis technique for particle mixture identification. We retrieve information about the size, geometry, and ratio concentration of two-component heterogeneous particle mixtures with an efficiency…

Image and Video Processing · Electrical Eng. & Systems 2022-02-03 Arturo Villegas , Mario A. Quiroz-Juarez , Alfred U'Ren , Juan P. Torres , Roberto de J. Leon-Montiel

With the advent of both modern X-ray fluorescence (XRF) methods and improved analytical reliability requirements the demand for suitable reference samples has increased. Especially in nanotechnology with the very low areal mass depositions,…

One of the most powerful approaches to imaging at the nanometer or subnanometer length scale is coherent diffraction imaging using X-ray sources. For amorphous (non-crystalline) samples, the raw data can be interpreted as the modulus of the…

Numerical Analysis · Mathematics 2020-04-02 Alexander Barnett , Charles L. Epstein , Leslie Greengard , Jeremy Magland

X-ray emission spectroscopy is a well-established technique used to study continuum lowering in dense plasmas. It relies on accurate atomic physics models to robustly reproduce high-resolution emission spectra, and depends on our ability to…

Plasma Physics · Physics 2020-01-22 M. F. Kasim , J. S. Wark , S. M. Vinko