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Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel materials. A prerequisite for full…

Advancements in fast electron detectors have enabled the statistically significant sampling of crystal structures on the nanometre scale by means of Scanning Electron Nanobeam Diffraction (SEND). Characterisation of structural similarity…

Materials Science · Physics 2022-07-28 Andy Bridger , William I. F. David , Thomas J. Wood , Mohsen Danaie , Keith T. Butler

All materials are made from atoms arranged either in repeating (crystalline) or in random (amorphous) structures. Diffraction measurements probe average distances between atoms and/or planes of atoms. A transmission electron microscope in…

Materials Science · Physics 2025-07-24 Andreas Werbrouck , Nikhila C. Paranamana , Xiaoqing He , Matthias J. Young

We show that diffraction intensity into the First Order Laue Zone (FOLZ) of a crystal can have a strong azimuthal dependence, where this FOLZ ring appears solely because of unidirectional atom position modulation. Such a modulation was…

Materials Science · Physics 2023-10-03 Aurys Silinga , Christopher S. Allen , Juri Barthel , Colin Ophus , Ian MacLaren

Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Materials Science · Physics 2023-09-07 Andreas Leitherer , Byung Chul Yeo , Christian H. Liebscher , Luca M. Ghiringhelli

Understanding the interactions between microstructure, strain, phase, and material behavior is crucial in many scientific fields. However, quantifying these correlations is challenging, as it requires the use of multiple instruments and…

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 2022-02-15 Peter Moeck , Lukas von Koch

We present a new analysis method for atomic resolution four-dimensional scanning transmission electron microscopy (4D-STEM, in which a diffraction pattern is collected at each point of a raster scan of a focused electron beam across the…

Instrumentation and Detectors · Physics 2025-08-11 Yining Xie , Eoin Moynihan , Marin Alexe , Louis Piper , Ana Sanchez , Richard Beanland

The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…

Materials Science · Physics 2024-10-31 Abhijith S. Parackal , Rhys E. A. Goodall , Felix A. Faber , Rickard Armiento

We applied the analysis of x-ray intensity angular correlation function to dilute ensembles of identical spinel crystals. Firstly, we show that the angular correlation from measured diffraction patterns with many crystals per shot converges…

Materials Science · Physics 2017-01-27 Yun Zhao

The appearance of direct electron detectors marked a new era for electron diffraction. Their high sensitivity and low noise opens the possibility to extend electron diffraction from transmission electron microscopes (TEM) to lower energies…

Applied Physics · Physics 2025-02-18 Nikita Denisov , Andrey Orekhov , Johan Verbeeck

Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated…

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

Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…

Materials Science · Physics 2023-02-13 Christoph T. Koch

X-ray crystallography (XC) is an experimental technique used to determine three-dimensional crystalline structures. The acquired data in XC, called diffraction patterns, is the Fourier magnitudes of the unknown crystalline structure. To…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Samuel Pinilla , Jorge Bacca , Cesar Vargas , Juan Carlos Poveda-Jaramillo , Henry Arguello

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a…

Very short pulses of x-ray free-electron lasers opened the way to obtain diffraction signal from single particles beyond the radiation dose limit. For 3D structure reconstruction many patterns are recorded in the object's unknown…

Data Analysis, Statistics and Probability · Physics 2011-05-11 Gábor Bortel , Miklós Tegze

High-throughput analysis of multidimensional transmission electron microscopy (TEM) datasets remains a significant challenge, limiting the broader impact on strategic materials research. Conventional workflows typically involve sequential,…

Materials Science · Physics 2025-07-16 Arda Genc , Ravit Silverstein

4D-STEM-based orientation and phase mapping has enabled rapid microstructure quantification that can be directly combined with standard TEM- and STEM-based imaging modes. Typically, orientation mapping is coupled with beam precession (i.e.…

Materials Science · Physics 2026-04-01 Yichen Yang , Olivier Pierron , Josh Kacher , David Rowenhorst

Understanding the grain morphology, orientation distribution, and crystal structure of nanocrystals is essential for optimizing the mechanical and physical properties of functional materials. Synchrotron X-ray Laue microdiffraction is a…

Materials Science · Physics 2025-06-13 Ka Hung Chan , Xinyue Huang , Nobumichi Tamura , Xian Chen