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X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

Computational Physics · Physics 2025-02-25 Xue Han , Haodong Yao , Fei Zhan , Xueqi Song , Junfang Zhao , Haifeng Zhao

Coherent microscopy techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the…

X-ray microtomography is a versatile tool allowing the measurement of the 3D structure of optically thick samples. As a non-destructive technique, it is readily adapted to 4D imaging, where a sample can be monitored over time, and…

Instrumentation and Detectors · Physics 2025-12-17 Harry Allan , Tom Partridge , Joseph Jacob , Marco Endrizzi

Many real-world tasks involve identifying patterns from data satisfying background or prior knowledge. In domains like materials discovery, due to the flaws and biases in raw experimental data, the identification of X-ray diffraction…

Computer Vision and Pattern Recognition · Computer Science 2018-12-12 Junwen Bai , Zihang Lai , Runzhe Yang , Yexiang Xue , John Gregoire , Carla Gomes

A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson

In an effort to explore high-throughput processing of microscopic image data, a method based on deep convolutional neural network is proposed. The state-of-the-art computer vision algorithm, Faster R-CNN, was trained for the detection of…

Disordered Systems and Neural Networks · Physics 2021-03-09 Ze-Bin Wu

In x-ray microscopy, traditional raster-scanning techniques are used to acquire a microscopic image in a series of step-scans. Alternatively, scanning the x-ray probe along a continuous path, called a fly-scan, reduces scan time and…

Image and Video Processing · Electrical Eng. & Systems 2025-09-23 Yu Lu , Thomas F. Lynn , Ming Du , Zichao Di , Sven Leyffer

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

Laser-induced electron diffraction is an evolving tabletop method, which aims to image ultrafast structural changes in gas-phase polyatomic molecules with sub-{\AA}ngstr\"om spatial and femtosecond temporal resolution. Here, we provide the…

A novel method for fast information retrieval from a probe storage device is considered. It is shown that information can be stored and retrieved using the optical diffraction patterns obtained by the illumination of a large array of…

Information Theory · Computer Science 2015-05-27 Joost van Honschoten , Henri de Jong , Wabe W. Koelmans , Thomas P. Parnell , Oleg V. Zaboronski

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

Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…

Machine learning (ML) with in situ diagnostics offers a transformative approach to accelerate, understand, and control thin film synthesis by uncovering relationships between synthesis conditions and material properties. In this study, we…

Quantitative interpretation of transmission electron microscopy (TEM) data of crystalline specimens often requires the accurate knowledge of the local crystal orientation. A method is presented which exploits momentum-resolved scanning TEM…

A fast and general Bayesian inference framework to infer the physical properties of dichroic polarization using mid-infrared imaging- and spectro-polarimetric observations is presented. The Bayesian approach is based on a hierarchical…

Instrumentation and Methods for Astrophysics · Physics 2015-12-02 E. Lopez-Rodriguez

In situ reflective high-energy electron diffraction (RHEED) is widely used to monitor the surface crystalline state during thin-film growth by molecular beam epitaxy (MBE) and pulsed laser deposition. With the recent development of machine…

Grazing incidence X-ray diffraction (GIXD) is widely used for the structural characterization of thin films, particularly for analyzing phase composition and the orientation distribution of crystallites. While various tools exist for…

Topo-Tomography (TT) is a synchrotron-based X-ray diffraction imaging technique used to characterize grain shape and crystal orientation in polycrystalline samples. This work aims to provide a decisive and fundamental understanding of 3D…

Computational Physics · Physics 2025-10-13 Zheheng Liu , Nicola Vigano , Henry Proudhon , Wolfgang Ludwig

An approach for the crystallographic mapping of two-phase alloys on the nanoscale using a combination of scanned precession electron diffraction and open-source python libraries is introduced in this paper. This method is demonstrated using…

Materials Science · Physics 2024-02-05 Ian MacLaren , Enrique Frutos-Myro , Steven Zeltmann , Colin Ophus

Energy-dispersive X-ray diffraction (EDXRD) is extremely insensitive to sample morphology when implemented in a back-reflection geometry. The capabilities of this non-invasive technique for cultural heritage applications have been explored…

Instrumentation and Detectors · Physics 2021-11-19 Craig I. Hiley , Graeme M. Hansford , Nicholas Eastaugh
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