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Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

Quantitative phase analysis is one of the major applications of X-ray powder diffraction. The essential principle of quantitative phase analysis is that the diffraction intensity of a component phase in a mixture is proportional to its…

Materials Science · Physics 2022-02-22 Hui Lia , Meng Hebcd , Ze Zhange

We present results of a coherent x-ray diffractive imaging experiment performed on a single colloidal crystal grain. The full three-dimensional (3D) reciprocal space map measured by an azimuthal rotational scan contained several orders of…

Modern imaging techniques at the molecular scale rely on utilizing novel coherent light sources like X-ray free electron lasers for the ultimate goal of visualizing such objects as individual biomolecules rather than crystals. Here, unlike…

We present a theoretical justification for a method of extracting of supplementary information for the phase retrieval procedure taken from diffraction of fs-pulses from X-ray Free Electron Laser facilities. The approach is based on…

Materials Science · Physics 2015-02-18 A. Leonov , D. Ksenzov , A. Benediktovitch , I. Feranchuk , U. Pietsch

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…

Structural response of crystals to an applied external perturbation is important as a key for understanding microscopic origin of physical properties. Experimental investigation of structural response is a great challenge for modern…

Materials Science · Physics 2016-05-24 Semen Gorfman , Oleg Schmidt , Vladimir Tsirelson , Michael Ziolkowski , Ullrich Pietsch

Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…

Materials Science · Physics 2025-04-29 Sumitava Kundu , Kaustav Chakraborty , Avisek Das

Dark-field X-ray microscopy is a new full-field imaging technique that nondestructively maps the structure and local strain inside deeply embedded crystalline elements in three dimensions. Placing an objective lens in the diffracted beam…

Materials Science · Physics 2022-03-10 H. F. Poulsen , L. E. Dresselhaus-Marais , M. A. Carlsen , C. Detlefs , G. Winther

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

Recently, deep convolutional neural networks have shown good results for image recognition. In this paper, we use convolutional neural networks with a finder module, which discovers the important region for recognition and extracts that…

Computer Vision and Pattern Recognition · Computer Science 2018-12-27 Yusei Miura , Tetsuya Sakurai , Claus Aranha , Toshiya Senda , Ryuichi Kato , Yusuke Yamada

Modern Flash X-ray diffraction Imaging (FXI) acquires diffraction signals from single biomolecules at a high repetition rate from X-ray Free Electron Lasers (XFELs), easily obtaining millions of 2D diffraction patterns from a single…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Jing Liu , Stefan Engblom , Carl Nettelblad

X-ray polarization is a powerful tool for unveiling the anisotropic characteristics of high-energy celestial objects. We present a novel imaging reconstruction method designed for hard X-ray polarimeters employing a Si CMOS sensor and coded…

Instrumentation and Methods for Astrophysics · Physics 2024-07-09 Tsubasa Tamba , Hirokazu Odaka , Taihei Watanabe , Toshiya Iwata , Tomoaki Kasuga , Atsushi Tanimoto , Satoshi Takashima , Masahiro Ichihashi , Hiromasa Suzuki , Aya Bamba

High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk form. These methods are often combined with external stimuli…

Phase-retrieval from coded diffraction patterns (CDP) is important to X-ray crystallography, diffraction tomography and astronomical imaging, yet remains a hard, non-convex inverse problem. We show that CDP recovery can be reformulated…

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Soft Condensed Matter · Physics 2017-09-13 Congcong Huang , K. T. Wikfeldt , D. Nordlund , U. Bergmann , T. McQueen , J. Sellberg , L. G. M. Pettersson , A. Nilsson

State-of-the-art computational methods combined with common idealized structural models provide an incomplete understanding of experiments on real nanostructures, since manufacturing introduces unavoidable deviations from the design. We…

Serial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be indexed before integration and merging…

Computational Physics · Physics 2025-12-01 Marc M Nasser , Frédéric Poitevin , Kevin M Dalton

X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery…

We report on a new x-ray imaging method, which combines the high spatial resolution of coherent diffraction imaging with the ability of dark field microscopy to map grains within thick polycrystalline specimens. An x-ray objective serves to…

Instrumentation and Detectors · Physics 2020-07-15 Anders Filsøe Pedersen , Virginie Chamard , Carsten Detlefs , Tao Zhou , Dina Carbone , Henning Friis Poulsen
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