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Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…

Computational Physics · Physics 2020-09-03 Markus Kühbach , Matthew Kasemer , Baptiste Gault , Andrew Breen

Scanning transmission electron microscopy (STEM) has become the technique of choice for quantitative characterization of atomic structure of materials, where the minute displacements of atomic columns from high-symmetry positions can be…

Materials Science · Physics 2021-10-05 Kevin M. Roccapriore , Nicole Creange , Maxim Ziatdinov , Sergei V. Kalinin

Cryogenic electron microscopy (cryo-EM) is an invaluable technique for determining high-resolution three-dimensional structures of biological macromolecules using transmission particle images. The inherent symmetry in these macromolecules…

Optimization and Control · Mathematics 2024-11-06 Qi Zhang , Chenglong Bao , Hai Lin , Mingxu Hu

Pattern matching is a powerful tool for symbolic computations. Applications include term rewriting systems, as well as the manipulation of symbolic expressions, abstract syntax trees, and XML and JSON data. It also allows for an intuitive…

Programming Languages · Computer Science 2017-10-09 Manuel Krebber , Henrik Barthels , Paolo Bientinesi

All materials are made from atoms arranged either in repeating (crystalline) or in random (amorphous) structures. Diffraction measurements probe average distances between atoms and/or planes of atoms. A transmission electron microscope in…

Materials Science · Physics 2025-07-24 Andreas Werbrouck , Nikhila C. Paranamana , Xiaoqing He , Matthias J. Young

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

Atomic-resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns.…

Materials Science · Physics 2024-06-04 Jiake Wei , Zhangze Xu , Wenjie Shen , Bin Feng , Ryo Ishikawa , Naoya Shibata , Yuichi Ikuhara , Xuedong Bai

4D-STEM, in which the 2D diffraction plane is captured for each 2D scan position in the scanning transmission electron microscope (STEM) using a pixelated detector, is complementing and increasingly replacing existing imaging approaches.…

Instrumentation and Detectors · Physics 2022-07-27 Colum M. O'Leary , Benedikt Haas , Christoph T. Koch , Peter D. Nellist , Lewys Jones

Polarized Resonant Soft X-ray scattering (P-RSoXS) has emerged as a powerful synchrotron-based tool that combines principles of X-ray scattering and X-ray spectroscopy. P-RSoXS provides unique sensitivity to molecular orientation and…

The traditional techniques for extracting polycrystalline grain structures from microscopy images, such as transmission electron microscopy (TEM) and scanning electron microscopy (SEM), are labour-intensive, subjective, and time-consuming,…

Machine Learning · Computer Science 2025-04-22 Ahmed Sobhi Saleh , Kristof Croes , Hajdin Ceric , Ingrid De Wolf , Houman Zahedmanesh

Object detection is a main task in computer vision. Template matching is the reference method for detecting objects with arbitrary templates. However, template matching computational complexity depends on the rotation accuracy, being a…

Computer Vision and Pattern Recognition · Computer Science 2024-11-07 Antonio Martinez-Sanchez , Ulrike Homberg , José María Almira , Harold Phelippeau

Chemomechanical interactions in gas or liquid environments are crucial for the functionality and longevity of various materials used in sustainable energy technologies, such as rechargeable batteries, water-splitting catalysts, and…

Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…

ixpeobssim is a simulation and analysis framework, based on the Python programming language and the associated scientific ecosystem, specifically developed for the Imaging X-ray Polarimetry Explorer (IXPE). Given a source model and the…

Instrumentation and Methods for Astrophysics · Physics 2022-09-23 L. Baldini , N. Bucciantini , N. Di Lalla , S. R. Ehlert , A. Manfreda , M. Negro , N. Omodei , M. Pesce-Rollins , C. Sgrò , S. Silvestri

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…

Image and Video Processing · Electrical Eng. & Systems 2019-01-15 Xin Li , Ondrej E. Dyck , Mark P. Oxley , Andrew R. Lupini , Leland McInnes , John Healy , Stephen Jesse , Sergei V. Kalinin

A Python program for calculating the metrics necessary to perform information-theory based symmetry classifications and quantifications of transmission electron diffraction spot patterns is introduced. It is the first of its kind, in that…

Materials Science · Physics 2022-05-10 Lukas von Koch , Peter Moeck

pyGDM is a python toolkit for electro-dynamical simulations in nano-optics based on the Green Dyadic Method (GDM). In contrast to most other coupled-dipole codes, pyGDM uses a generalized propagator, which allows to cost-efficiently solve…

Computational Physics · Physics 2020-01-28 Peter R. Wiecha

There is a need for open-source libraries in emission tomography that (i) use modern and popular backend code to encourage community contributions and (ii) offer support for the multitude of reconstruction techniques available in recent…

Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the…

Momentum-resolved scanning transmission electron microscopy (MRSTEM) is a powerful phase-contrast technique that can map lateral magnetic and electric fields ranging from the micrometer to the subatomic scale. Resolving fields ranging from…