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A suite of acquisition applications related to the 4D-STEM technique is presented as a software package written within the Digital Micrograph environment, which is a widely used software platform in worldwide electron microscopy…

Diffraction analysis in four dimensional scanning transmission electron microscopy now enables the mapping of local structures including symmetry, strain, and polarization of materials. However, measuring the distribution of these…

Materials Science · Physics 2024-06-19 Tim B. Eldred , Jacob G. Smith , Wenpei Gao

Four-dimensional scanning transmission electron microscopy (4D-STEM) is one of the most rapidly growing modes of electron microscopy imaging. The advent of fast pixelated cameras and the associated data infrastructure have greatly…

Applications · Statistics 2019-08-27 Xin Li , Ondrej Dyck , Stephen Jesse , Andrew R. Lupini , Sergei V. Kalinin , Mark P. Oxley

Characterizing crystal structures and interfaces down to the atomic level is an important step for designing advanced materials. Modern electron microscopy routinely achieves atomic resolution and is capable to resolve complex arrangements…

Materials Science · Physics 2023-09-07 Andreas Leitherer , Byung Chul Yeo , Christian H. Liebscher , Luca M. Ghiringhelli

Pattern matching between target electron backscatter patterns (EBSPs) and dynamically simulated EBSPs was used to determine the pattern centre (PC) and crystal orientation, using a global optimisation algorithm. Systematic analysis of error…

Materials Science · Physics 2019-04-16 Tomohito Tanaka , Angus J. Wilkinson

One of the primary uses for transmission electron microscopy (TEM) is to measure diffraction pattern images in order to determine a crystal structure and orientation. In nanobeam electron diffraction (NBED) we scan a moderately converged…

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

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

In this study, we present a computational framework tailored for the precise detection and comprehensive analysis of nanoparticles within scanning electron microscopy (SEM) images. The primary objective of this framework revolves around the…

Image and Video Processing · Electrical Eng. & Systems 2023-08-21 Aidan S. Wright , Nathaniel P. Youmans , Enrique F. Valderrama Araya

Background and Objective: Deep learning enables tremendous progress in medical image analysis. One driving force of this progress are open-source frameworks like TensorFlow and PyTorch. However, these frameworks rarely address issues…

Image and Video Processing · Electrical Eng. & Systems 2021-04-29 Alain Jungo , Olivier Scheidegger , Mauricio Reyes , Fabian Balsiger

Layered materials (LMs) are at the centre of an ever increasing research effort due to their potential use in a variety of applications. The presence of imperfections, such as bi- or multilayer areas, holes, grain boundaries, isotropic and…

The evolution of the scanning modules for scanning transmission electron microscopes (STEM) has realized the possibility to generate arbitrary scan pathways, an approach currently explored to improve acquisition speed and to reduce electron…

Optical mapping by direct visualization of individual DNA molecules, stretched in nanochannels with sequence-specific fluorescent labeling, represents a promising tool for disease diagnostics and genomics. An important challenge for this…

Quantitative Methods · Quantitative Biology 2015-01-21 Charleston Noble , Adam N. Nilsson , Camilla Freitag , Jason P. Beech , Jonas O. Tegenfeldt , Tobias Ambjörnsson

Space charge layers (SCLs) at grain boundaries play a crucial role in modulating local electric fields and influencing the functional properties of materials, such as oxygen vacancy migration and ionic conductivity in oxide ceramics.…

Modern time series analysis demands frameworks that are flexible, efficient, and extensible. However, many existing Python libraries exhibit limitations in modularity and in their native support for irregular, multi-source, or sparse data.…

Machine Learning · Computer Science 2025-08-27 Zhijin Wang , Senzhen Wu , Yue Hu , Xiufeng Liu

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…

Materials Science · Physics 2026-01-19 R. J. Morelock , S. Bagchi , E. L. Briggs , W. Lu , J. Bernholc , P. Ganesh

A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…

Materials Science · Physics 2023-05-26 Manuel Ederer , Stefan Löffler

The nature of stacking faults - whether intrinsic or extrinsic - plays a pivotal role in defect-mediated processes in crystalline materials. Yet, current electron microscopy techniques for their reliable analysis remain limited to either…

Automated experiments in 4D Scanning Transmission Electron Microscopy are implemented for rapid discovery of local structures, symmetry-breaking distortions, and internal electric and magnetic fields in complex materials. Deep kernel…

Materials Science · Physics 2022-04-22 Kevin M. Roccapriore , Ondrej Dyck , Mark P. Oxley , Maxim Ziatdinov , Sergei V. Kalinin

Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…

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