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Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…

Machine Learning · Computer Science 2025-07-03 Jithendaraa Subramanian , Linda Hung , Daniel Schweigert , Santosh Suram , Weike Ye

The use of fast pixelated detectors and direct electron detection technology is revolutionising many aspects of scanning transmission electron microscopy (STEM). The widespread adoption of these new technologies is impeded by the technical…

Instrumentation and Detectors · Physics 2020-08-06 Magnus Nord , Robert W. H. Webster , Kirsty A. Paton , Stephen McVitie , Damien McGrouther , Ian MacLaren , Gary W. Paterson

The ForMAX beamline at the MAX IV Laboratory provides multiscale and multimodal structural characterization of hierarchical materials in the nm to mm range by combining small- and wide-angle x-ray scattering with full-field microtomography.…

Scanning transmission electron microscopy (STEM) has advanced rapidly in the last decade thanks to the ability to correct the major aberrations of the probe forming lens. Now atomic-sized beams are routine, even at accelerating voltages as…

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

Machine Learning · Computer Science 2025-11-26 Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

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

Resolving morphological chemical phase transformations at the nanoscale is of vital importance to many scientific and industrial applications across various disciplines. The TXM-XANES imaging technique, by combining full field transmission…

Image and Video Processing · Electrical Eng. & Systems 2022-01-04 Jizhou Li , Bin Chen , Guibin Zan , Guannan Qian , Piero Pianetta , Yijin Liu

X-ray microscopy has been an indispensable tool to image nanoscale properties for materials research. One of its recent advances is to extend microscopic studies to the time domain for visualizing the dynamics of nanoscale phenomena.…

Mesoscale and Nanoscale Physics · Physics 2025-03-25 Haidan Wen , Mathew J. Cherukara , Martin V. Holt

Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…

Machine Learning · Computer Science 2021-11-17 Piotr Tomaszewski , Shun Yu , Markus Borg , Jerk Rönnols

Recent innovations in x-ray technology (namely phase-based and energy-resolved imaging) offer unprecedented opportunities for material discrimination, however they are often used in isolation or in limited combinations. Here we show that…

Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils,…

Materials Science · Physics 2026-03-05 A. Benhadjira , C. Detlefs , S. Borgi , V. Favre-Nicolin , C. Yildirim

In this paper, beam diagnostic and monitoring tools developed by the MAX IV Operations Group are discussed. In particular, new beam position monitoring and accelerator tunes visualization software tools, as well as tools that directly…

Time resolution is one of the most severe limitations of scanning probe microscopies (SPMs), since the typical image acquisition times are in the order of several seconds or even few minutes. As a consequence, the characterization of…

The transmission X-ray microscope (TXM) on the Anatomix beamline welcomed its first nano-tomography users in 2019. The instrument is based on diffractive optics and works in the range of energies from 7 keV to 21 keV. A spatial resolution…

A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…

Instrumentation and Detectors · Physics 2025-09-23 Milen Gateshki , Charalampos Zarkadas , Detlef Beckers

Four-dimensional scanning transmission electron microscopy (4D-STEM) is a powerful tool that allows for the simultaneous acquisition of spatial and diffraction information, driven by recent advancements in direct electron detector…

Materials Science · Physics 2024-10-23 Ujjval Bansal , Amit Sharma , Barbara Putz , Christoph Kirchlechner , Subin Lee

Autonomous robots require efficient on-device learning to adapt to new environments without cloud dependency. For this edge training, Microscaling (MX) data types offer a promising solution by combining integer and floating-point…

Hardware Architecture · Computer Science 2025-12-16 Stef Cuyckens , Xiaoling Yi , Nitish Satya Murthy , Chao Fang , Marian Verhelst

Multi-spectral computed tomography is an emerging technology for the non-destructive identification of object materials and the study of their physical properties. Applications of this technology can be found in various scientific and…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Christian Kehl , Wail Mustafa , Jan Kehres , Anders Bjorholm Dahl , Ulrik Lund Olsen

X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

X-ray Charge Coupled Devices (CCDs) have been the workhorse for soft X-ray astronomical instruments for the past quarter century. They provide broad energy response, extremely low electronic read noise, and good energy resolution in soft…

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