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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…

Automated experimentation with real time data analysis in scanning transmission electron microscopy (STEM) often require end-to-end framework. The four-dimensional scanning transmission electron microscopy (4D-STEM) with high-throughput…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Mingyu Liu , Zian Mao , Zhu Liu , Haoran Zhang , Jintao Guo , Xiaoya He , Xi Huang , Shufen Chu , Chun Cheng , Jun Ding , Yujun Xie

The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine…

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

Computational Physics · Physics 2019-05-13 Liang Li , Mindren Lu , Maria K. Y. Chan

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

Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…

Materials Science · Physics 2022-04-13 Yiqun Wang , Xiao-Jie Zhang , Fei Xia , Elsa A. Olivetti , Ram Seshadri , James M. Rondinelli

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…

State-of-the-art electron microscopes such as scanning electron microscopes (SEM), scanning transmission electron microscopes (STEM) and transmission electron microscopes (TEM) have become increasingly sophisticated. However, the quality of…

Computational Physics · Physics 2023-03-31 I. Lobato , T. Friedrich , S. Van Aert

Diffraction is the most common method to solve for unknown or partially known crystal structures. However, it remains a challenge to determine the crystal structure of a new material that may have nanoscale size or heterogeneities. Here we…

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,…

Scanning transmission electron microscopy (STEM) has advanced rapidly in the last decade thanks to the ability to correct the major aberrations of the probe forming lens. Now atomic-sized beams are routine, even at accelerating voltages as…

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

Curvilinear structures frequently appear in microscopy imaging as the object of interest. Crystallographic defects, i.e., dislocations, are one of the curvilinear structures that have been repeatedly investigated under transmission electron…

Image and Video Processing · Electrical Eng. & Systems 2021-10-19 Okan Altingövde , Anastasiia Mishchuk , Gulnaz Ganeeva , Emad Oveisi , Cecile Hebert , Pascal Fua

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,…

Four-dimensional scanning transmission electron microscopy (4D-STEM) is a powerful tool that allows for the simultaneous acquisition of spatial and diffraction information, driven by recent advancements in direct electron detector…

Materials Science · Physics 2024-10-23 Ujjval Bansal , Amit Sharma , Barbara Putz , Christoph Kirchlechner , Subin Lee

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

Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is particularly well suited to determine the 3D structure of particles in their native environment. For a successful reconstruction, diffraction patterns originating from a…

Data Analysis, Statistics and Probability · Physics 2021-12-17 Dameli Assalauova , Alexandr Ignatenko , Fabian Isensee , Sergey Bobkov , Darya Trofimova , Ivan A. Vartanyants

Deep Learning has been shown to learn efficient representations for structured data such as image, text or audio. In this chapter, we present neural network architectures that are able to learn efficient representations of molecules and…

Computational Physics · Physics 2018-12-13 Kristof T. Schütt , Alexandre Tkatchenko , Klaus-Robert Müller

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

Four-dimensional Scanning Transmission Electron Microscopy (4D-STEM) is a powerful technique for high-resolution and high-precision materials characterization at multiple length scales, including the characterization of beam-sensitive…

Applied Physics · Physics 2023-08-11 Hsu-Chih Ni , Renliang Yuan , Jiong Zhang , Jian-Min Zuo