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The association of scanning transmission electron microscopy (STEM) and the detection of a diffraction pattern at each probe position (so-called 4D-STEM) represents one of the most promising approaches to analyze structural properties of…

Applied Physics · Physics 2023-01-26 Leonardo Corrêa , Eduardo Ortega , Arturo Ponce , Mônica Cotta , Daniel Ugarte

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…

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

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…

Understanding the relationship between atomic structure (order) and chemical composition (chemistry) is critical for advancing materials science, yet traditional spectroscopic techniques can be slow and damaging to sensitive samples.…

Materials Science · Physics 2025-08-29 Mridul Kumar , Yevgeny Rakita

We establish a series of deep convolutional neural networks to automatically analyze position averaged convergent beam electron diffraction patterns. The networks first calibrate the zero-order disk size, center position, and rotation…

Data Analysis, Statistics and Probability · Physics 2018-06-05 Weizong Xu , James M. LeBeau

The recent development of electron sensitive and pixelated detectors has attracted the use of four-dimensional scanning transmission electron microscopy (4D-STEM). Here, we present a precession electron diffraction assisted 4D-STEM…

Instrumentation and Detectors · Physics 2021-10-04 Jiwon Jeong , Niels Cautaerts , Gerhard Dehm , Christian H. Liebscher

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

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…

We present a novel adaptive machine-learning based approach for reconstructing three-dimensional (3D) crystals from coherent diffraction imaging (CDI). We represent the crystals using spherical harmonics (SH) and generate corresponding…

Computational Physics · Physics 2020-12-02 Alexander Scheinker , Reeju Pokharel

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

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…

Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…

Chemical Physics · Physics 2023-08-09 Hazem Daoud , Dhruv Sirohi , Endri Mjeku , John Feng , Saeed Oghbaey , R. J. Dwayne Miller

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…

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

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…

The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…

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

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

Development in lattice strain mapping using four-dimensional scanning transmission electron microscopy (4D-STEM) method now offers improved precision and feasibility. However, automatic and accurate diffraction analysis is still challenging…

Materials Science · Physics 2022-01-04 Sihan Wang , Tim Eldred , Jacob Smith , Wenpei Gao
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