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The diffraction patterns of crystalline materials with local order contain sharp Bragg reflections as well as highly structured diffuse scattering. The instrumental requirements, experimental parameters and data processing techniques for…

Materials Science · Physics 2023-11-29 Romy Poppe , Joke Hadermann

The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern…

Implementation of a fast, robust, and fully-automated pipeline for crystal structure determination and underlying strain mapping for crystalline materials is important for many technological applications. Scanning electron nanodiffraction…

Pattern matching approaches to electron backscatter diffraction (EBSD) in the scanning electron microscope (SEM) provide qualitatively new possibilities for the microstructural analysis of chiral non-centrosymmetric phases due to the…

Materials Science · Physics 2025-01-16 Grzegorz Cios , Aimo Winkelmann , Tomasz Tokarski , Piotr Bała

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…

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

Polycrystalline materials have numerous applications due to their unique properties, which are often determined by the grain boundaries. Hence, quantitative characterization of grain as well as interface orientation is essential to optimize…

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…

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…

Ultrafast electron diffraction/microscopy technique enables us to investigate the nonequilibrium dynamics of crystal structures in the femtosecond-nanosecond time domain. However, the electron diffraction intensities are in general…

Materials Science · Physics 2024-07-10 Toshiya Shiratori , Jumpei Koga , Takahiro Shimojima , Kyoko Ishizaka , Asuka Nakamura

Three dimensional electron back-scattered diffraction (EBSD) microscopy is a critical tool in many applications in materials science, yet its data quality can fluctuate greatly during the arduous collection process, particularly via…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Harry Dong , Sean Donegan , Megna Shah , Yuejie Chi

Electron microscopy is widely used to explore defects in crystal structures, but human detecting of defects is often time-consuming, error-prone, and unreliable, and is not scalable to large numbers of images or real-time analysis. In this…

Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…

Materials Science · Physics 2025-08-13 Kamal Choudhary

Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…

Materials Science · Physics 2025-10-22 Jiale Zhao , Cong Liu , Yuxuan Zhang , Chengyue Gong , Zhenyi Zhang , Shifeng Jin , Zhenyu Liu

Three-dimensional electron diffraction (3DED) is a powerful technique providing for crystal structure solutions of sub-micron sized crystals too small for structure determination via X-ray techniques. The entry requirement, however, of a…

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

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

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…

Image and Video Processing · Electrical Eng. & Systems 2019-01-15 Xin Li , Ondrej E. Dyck , Mark P. Oxley , Andrew R. Lupini , Leland McInnes , John Healy , Stephen Jesse , Sergei V. Kalinin