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Techniques for training artificial neural networks (ANNs) and convolutional neural networks (CNNs) using simulated dynamical electron diffraction patterns are described. The premise is based on the following facts. First, given a suitable…

Mesoscale and Nanoscale Physics · Physics 2021-03-08 Renliang Yuan , Jiong Zhang , Lingfeng He , Jian-Min Zuo

Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…

Scanning X-ray nanodiffraction microscopy is a powerful technique for spatially resolving nanoscale structural morphologies by diffraction contrast. One of the critical challenges in experimental nanodiffraction data analysis is posed by…

Applied Physics · Physics 2024-06-26 Aileen Luo , Tao Zhou , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

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…

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Electron diffraction through a thin patterned silicon membrane can be used to create complex spatial modulations in electron distributions by varying the intensity of different reflections using parameters such as crystallographic…

Accelerator Physics · Physics 2019-05-30 L. E. Malin , W. S. Graves , M. Holl , J. C. H. Spence , E. A. Nanni , R. K. Li , X. Shen , S. Weathersby

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or…

Computational Physics · Physics 2020-05-27 Leslie Ching Ow Tiong , Jeongrae Kim , Sang Soo Han , Donghun Kim

We report the development of deep learning coherent electron diffractive imaging at sub-angstrom resolution using convolutional neural networks (CNNs) trained with only simulated data. We experimentally demonstrate this method by applying…

Materials Science · Physics 2022-04-19 Dillan J. Chang , Colum M. O'Leary , Cong Su , Salman Kahn , Alex Zettl , Jim Ciston , Peter Ercius , Jianwei Miao

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

Photonic crystals (PhCs) are periodic dielectric structures that exhibit unique electromagnetic properties, such as the creation of band gaps where electromagnetic wave propagation is inhibited. Accurately predicting dispersion relations,…

Numerical Analysis · Mathematics 2024-11-12 Yueqi Wang , Richard Craster , Guanglian Li

Over the last decade, scanning transmission electron microscopy (STEM) has emerged as a powerful tool for probing atomic structures of complex materials with picometer precision, opening the pathway toward exploring ferroelectric,…

Data Analysis, Statistics and Probability · Physics 2021-12-23 Ayana Ghosh , Christopher T. Nelson , Mark Oxley , Xiaohang Zhang , Maxim Ziatdinov , Ichiro Takeuchi , Sergei V. Kalinin

Scanning transmission electron microscopy (STEM) is an indispensable tool for atomic-resolution structural analysis for a wide range of materials. The conventional analysis of STEM images is an extensive hands-on process, which limits…

Serial femtosecond crystallography at X-ray free electron laser facilities opens a new era for the determination of crystal structure. However, the data processing of those experiments is facing unprecedented challenge, because the total…

Materials Science · Physics 2023-09-22 Jianan Xie , Ji Liu , Chi Zhang , Xihui Chen , Ping Huai , Jie Zheng , Xiaofeng Zhang

Electron backscatter diffraction is a widely used technique for nano- to micro-scale analysis of crystal structure and orientation. Backscatter patterns produced by an alloy solid solution matrix and its ordered superlattice exhibit only…

Materials Science · Physics 2020-10-13 Thomas P McAuliffe , David Dye , T Ben Britton

Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

Materials Science · Physics 2018-07-19 A. Ziletti , D. Kumar , M. Scheffler , L. M. Ghiringhelli

Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as…

Serial crystallography is the field of science that studies the structure and properties of crystals via diffraction patterns. In this paper, we introduce a new serial crystallography dataset comprised of real and synthetic images; the…

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…

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

We have developed an image-based convolutional neural network (CNN) that is applicable for quantitative time-resolved measurements of the fragmentation behavior of opaque brittle materials using ultra-high speed optical imaging. This model…

Materials Science · Physics 2024-07-19 Erwin Cazares , Brian E. Schuster
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