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Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

Materials Science · Physics 2018-07-19 A. Ziletti , D. Kumar , M. Scheffler , L. M. Ghiringhelli

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…

Materials Science · Physics 2026-05-26 Kaixiang Su , Osman Goni Ridwan , Hongfei Xue , Qiang Zhu

In analysis of X-ray diffraction data, identifying the crystalline phase is important for interpreting the material. The typical method is identifying the crystalline phase from the coincidence of the main diffraction peaks. This method…

Materials Science · Physics 2025-01-17 Ryo Murakami , Kenji Nagata , Yoshitaka Matsushita , Masahiko Demura

The Laue diffraction microscopy experiment uses the polychromatic Laue micro-diffraction technique to examine the structure of materials with sub-micron spatial resolution in all three dimensions. During this experiment, local…

Data Analysis, Statistics and Probability · Physics 2022-02-01 Ke Yue , Schwarz Nicholas , Tischler Jonathan Z

The values of the signal-to-noise ratio are determined, at which the method of processing X-ray diffraction data reveals reflections with intensity less than the noise component of the background. The possibilities of the method are…

A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…

Materials Science · Physics 2023-11-21 S. V. Gabielkov , I. V. Zhyganiuk , A. D. Skorbun

In situ synchrotron X-ray computed tomography enables dynamic material studies. However, automated segmentation remains challenging due to complex imaging artefacts - like ring and cupping effects - and limited training data. We present a…

The synchrotron light source, a cutting-edge large-scale user facility, requires autonomous synchrotron beamline operations, a crucial technique that should enable experiments to be conducted automatically, reliably, and safely with minimum…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Baolu Li , Hongkai Yu , Huiming Sun , Jin Ma , Yuewei Lin , Lu Ma , Yonghua Du

The recent development of electron sensitive and pixelated detectors has attracted the use of four-dimensional scanning transmission electron microscopy (4D-STEM). Here, we present a precession electron diffraction assisted 4D-STEM…

Instrumentation and Detectors · Physics 2021-10-04 Jiwon Jeong , Niels Cautaerts , Gerhard Dehm , Christian H. Liebscher

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…

Materials Science · Physics 2022-08-10 Peter Moeck , Lukas von Koch

We establish a series of deep convolutional neural networks to automatically analyze position averaged convergent beam electron diffraction patterns. The networks first calibrate the zero-order disk size, center position, and rotation…

Data Analysis, Statistics and Probability · Physics 2018-06-05 Weizong Xu , James M. LeBeau

Many man-made objects are characterised by a shape that is symmetric along one or more planar directions. Estimating the location and orientation of such symmetry planes can aid many tasks such as estimating the overall orientation of an…

Computer Vision and Pattern Recognition · Computer Science 2021-07-01 Mihaela Cătălina Stoian , Tommaso Cavallari

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…

Materials Science · Physics 2019-09-04 Alexander Foden , David Collins , Angus Wilkinson , Thomas Benjamin Britton

Because of their high photon flux, X-ray free-electron lasers (FEL) allow to resolve the structure of individual nanoparticles via coherent diffractive imaging (CDI) within a single X-ray pulse. Since the inevitable rapid destruction of the…

Manual analysis of XRD data is usually laborious and time consuming. The deep neural network (DNN) based models trained by synthetic XRD patterns are proved to be an automatic, accurate, and high throughput method to analysis common XRD…

Disordered Systems and Neural Networks · Physics 2023-07-24 Xiaodong Zhao , YiXuan Luo , Juejing Liu , Wenjun Liu , Kevin M. Rosso , Xiaofeng Guo , Tong Geng , Ang Li , Xin Zhang

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,…

We describe a diffraction microscopy technique based on refractive optics to study structural variations in crystals. The X-ray beam diffracted by a crystal was magnified by beryllium parabolic refractive lenses on a 2D X-ray camera. The…

Optics · Physics 2014-12-16 Thomas Roth , Carsten Detlefs , Irina Snigireva , Anatoly Snigirev

As the advancements in the field of artificial intelligence and nonlinear optics continues new methods can be used to better describe and determine nonlinear optical phenomena. In this research we aimed to analyze the diffraction patterns…

Data Analysis, Statistics and Probability · Physics 2023-02-17 Behnam Pishnamazi , Ehsan Koushki

The unprecedented X-ray flux density provided by modern X-ray sources offers new spatiotemporal possibilities for X-ray imaging of fast dynamic processes. Approaches to exploit such possibilities often result in either i) a limited number…

Image and Video Processing · Electrical Eng. & Systems 2025-04-07 Zisheng Yao , Yuhe Zhang , Zhe Hu , Robert Klöfkorn , Tobias Ritschel , Pablo Villanueva-Perez