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Despite advancements in electron backscatter diffraction (EBSD) detector speeds, the acquisition rates of 4-Dimensional (4D) EBSD data, i.e., a collection of 2-dimensional (2D) diffraction maps for every position of a convergent electron…

Signal Processing · Electrical Eng. & Systems 2023-08-02 Zoë Broad , Daniel Nicholls , Jack Wells , Alex W. Robinson , Amirafshar Moshtaghpour , Robert Masters , Louise Hughes , Nigel D. Browning

Four-dimensional scanning transmission electron microscopy (4D-STEM) provides rich, atomic-scale insights into materials structures. However, extracting specific physical properties - such as polarization directions essential for…

Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid foundation in crystallography but also a profound comprehension of…

Machine Learning · Computer Science 2026-04-27 Kaipeng Zheng , Weiran Huang , Wanli Ouyang , Han-Sen Zhong , Yuqiang Li

The observation of low energy edge photoluminescence and its beneficial effect on the solar cell efficiency of Ruddlesden-Popper perovskites has unleashed an intensive research effort to reveal its origin. This effort, however, has been met…

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of…

Machine Learning · Computer Science 2022-10-21 Patrick Hosein , Jaimie Greasley

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

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…

Machine Learning · Computer Science 2025-07-21 Aileen Luo , Tao Zhou , Ming Du , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

Acquisition and modeling of polarized light reflection and scattering help reveal the shape, structure, and physical characteristics of an object, which is increasingly important in computer graphics. However, current polarimetric…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Hyunho Ha , Inseung Hwang , Nestor Monzon , Jaemin Cho , Donggun Kim , Seung-Hwan Baek , Adolfo Muñoz , Diego Gutierrez , Min H. Kim

Solving crystal structures from powder X-ray diffraction (XRD) is a central challenge in materials characterization. In this work, we study the powder XRD-to-structure mapping using gradient descent optimization, with the goal of recovering…

Materials Science · Physics 2025-12-04 Nofit Segal , Akshay Subramanian , Mingda Li , Benjamin Kurt Miller , Rafael Gomez-Bombarelli

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…

Machine learning techniques have successfully been used to extract structural information such as the crystal space group from powder X-ray diffractograms. However, training directly on simulated diffractograms from databases such as the…

Materials Science · Physics 2023-10-12 Henrik Schopmans , Patrick Reiser , Pascal Friederich

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

Compact direct electron detectors are becoming increasingly popular in electron microscopy applications including electron backscatter diffraction, as they offer an opportunity for low cost and accessible microstructural analysis. In this…

Materials Science · Physics 2025-10-17 Tianbi Zhang , Ruth Birch , Graeme Francolini , Ebru Karakurt Uluscu , Ben Britton

Precise knowledge of X-ray diffraction profile shape is crucial in the investigation of the properties of matter in crystals powder. Line-broadening analysis is a pre-processing step in most of the full powder pattern fitting softwares.…

Spectral Theory · Mathematics 2007-05-23 M. Ladisa , A. Lamura , T. Laudadio , G. Nico

A new method for identifying crystalline phases in X-ray diffraction data has been proposed, which is especially useful for the study of multiphase materials (more than eight - ten phases) with a relatively low content (less than 1 - 3…

Materials Science · Physics 2021-08-17 A. D. Skorbun , S. V. Gabielkov , I. V. Zhyganiuk

In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…

Data Analysis, Statistics and Probability · Physics 2013-01-22 Taha Sochi

Powder X-ray diffraction (PXRD) is a prevalent technique in materials characterization. While the analysis of PXRD often requires extensive human manual intervention, and most automated method only achieved at coarse-grained level. The more…

Chemical Physics · Physics 2025-02-11 Qingsi Lai , Fanjie Xu , Lin Yao , Zhifeng Gao , Siyuan Liu , Hongshuai Wang , Shuqi Lu , Di He , Liwei Wang , Cheng Wang , Guolin Ke

Grazing incidence fast atom diffraction (GIFAD, or FAD) has developed as a surface sensitive technique. GIFAD is less sensitive to thermal decoherence but more demanding in terms of surface coherence, the mean distance between defects. Such…

Atomic Physics · Physics 2016-09-21 Maxime Debiossac , Philippe Roncin

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

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
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