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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

We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…

Materials Science · Physics 2025-07-31 Joseph J. Webb , Richard Beanland , Rudolf A. Römer

Precession of a converged beam during acquisition of a 4D-STEM dataset improves strain, orientation, and phase mapping accuracy by averaging over continuous angles of illumination. Precession experiments usually rely on integrated systems,…

Instrumentation and Detectors · Physics 2025-10-20 Stephanie M. Ribet , Rohan Dhall , Colin Ophus , Karen C. Bustillo

The model presented in this research predicts ideal chiral crystal and propose a new direction of designing chiral crystals. Skyrmions are topologically protected and structurally assymetric materials with an exotic spin composition. This…

Computational Physics · Physics 2019-07-23 B. U. V Prashanth , Mohammed Riyaz Ahmed

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

The brain, as the source of inspiration for Artificial Neural Networks (ANN), is based on a sparse structure. This sparse structure helps the brain to consume less energy, learn easier and generalize patterns better than any other ANN. In…

Machine Learning · Computer Science 2021-03-16 Seyed Majid Naji , Azra Abtahi , Farokh Marvasti

Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of Group IV, III-V, and II-VI zinc blende (ZB) semiconductors, powered by crystal Graph-based Neural Networks…

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

Spiking neural networks (SNNs) are biology-inspired artificial neural networks (ANNs) that comprise of spiking neurons to process asynchronous discrete signals. While more efficient in power consumption and inference speed on the…

Neural and Evolutionary Computing · Computer Science 2021-03-02 Shikuang Deng , Shi Gu

Scanning transmission electron microscopy (STEM) has a broad range of applications in materials characterization, including real-space imaging, spectroscopy, and diffraction, at length scales from the micron to sub-{\AA}ngstr\"om. The…

Instrumentation and Detectors · Physics 2022-06-07 Bryan D Esser , Joanne Etheridge

Convolutional neural networks (CNNs) are widely used for image recognition and text analysis, and have been suggested for application on one-dimensional data as a way to reduce the need for pre-processing steps. Pre-processing is an…

Machine Learning · Computer Science 2020-05-18 Ine L. Jernelv , Dag Roar Hjelme , Yuji Matsuura , Astrid Aksnes

Intense short-wavelength pulses from free-electron lasers and high-harmonic-generation sources enable diffractive imaging of individual nano-sized objects with a single x-ray laser shot. The enormous data sets with up to several million…

In this article we propose a new deep learning approach to approximate operators related to parametric partial differential equations (PDEs). In particular, we introduce a new strategy to design specific artificial neural network (ANN)…

Numerical Analysis · Mathematics 2026-05-01 Arnulf Jentzen , Adrian Riekert , Philippe von Wurstemberger

The identification of structural damages takes a more and more important role within the modern economy, where often the monitoring of an infrastructure is the last approach to keep it under public use. Conventional monitoring methods…

Machine Learning · Computer Science 2021-03-31 Frank Wuttke , Hao Lyu , Amir S. Sattari , Zarghaam H. Rizvi

Artificial neural network (ANN) is tested as a tool for finding a new subgrid model of the subgrid-scale (SGS) stress in large-eddy simulation. ANN is used to establish a functional relation between the grid-scale (GS) flow field and the…

Fluid Dynamics · Physics 2017-05-10 Masataka Gamahara , Yuji Hattori

Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…

Materials Science · Physics 2025-02-18 Bin Cao , Yang Liu , Zinan Zheng , Ruifeng Tan , Jia Li , Tong-yi Zhang

Materials discovery, especially for applications that require extreme operating conditions, requires extensive testing that naturally limits the ability to inquire the wealth of possible compositions. Machine Learning (ML) has nowadays a…

Materials Science · Physics 2023-06-21 Dario Massa , Daniel Cieśliński , Amirhossein Naghdi , Stefanos Papanikolaou

4D-STEM-based orientation and phase mapping has enabled rapid microstructure quantification that can be directly combined with standard TEM- and STEM-based imaging modes. Typically, orientation mapping is coupled with beam precession (i.e.…

Materials Science · Physics 2026-04-01 Yichen Yang , Olivier Pierron , Josh Kacher , David Rowenhorst

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

Materials Science · Physics 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as…

Mathematical Physics · Physics 2017-10-11 Peter Mahler Larsen , Søren Schmidt
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