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Hyperspectral neutron tomography is an effective method for analyzing crystalline material samples with complex compositions in a non-destructive manner. Since the counts in the hyperspectral neutron radiographs directly depend on the…

Homogenization is a technique commonly used in multiscale computational science and engineering for predicting collective response of heterogeneous materials and extracting effective mechanical properties. In this paper, a three-dimensional…

Computational Engineering, Finance, and Science · Computer Science 2020-02-19 Chengping Rao , Yang Liu

Crystalline defects, such as line-like dislocations, play an important role for the performance and reliability of many metallic devices. Their interaction and evolution still poses a multitude of open questions to materials science and…

Computer Vision and Pattern Recognition · Computer Science 2023-07-13 Kishan Govind , Daniela Oliveros , Antonin Dlouhy , Marc Legros , Stefan Sandfeld

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…

Identifying the three-dimensional (3D) crystal-plane and strain-field distributions of nanocrystals is essential for optical, catalytic, and electronic applications. Here, we developed a methodology for visualizing the 3D information of…

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

Measurement modalities in Bragg coherent diffraction imaging (BCDI) rely on finding signal from a single nanoscale crystal object, which satisfies the Bragg condition among a large number of arbitrarily oriented nanocrystals. However, even…

Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel materials. A prerequisite for full…

The accuracy of the information that can be extracted from electron diffraction patterns is often limited by the presence of optical distortions. Existing distortion characterization techniques typically require knowledge of the reciprocal…

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

Dark-field x-ray microscopy utilizes Bragg diffraction to collect full-field x-ray images of "mesoscale" structure of ordered materials. Information regarding the structural heterogeneities and their physical implications is gleaned through…

Materials Science · Physics 2022-10-31 Omar Abulshohoud , Ishwor Poudyal , Jessica McChesney , Zhan Zhang , Zhi Qiao , Ulrich Welp , Zahir Islam

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of…

Machine Learning · Computer Science 2022-10-21 Patrick Hosein , Jaimie Greasley

Serial crystallography is the field of science that studies the structure and properties of crystals via diffraction patterns. In this paper, we introduce a new serial crystallography dataset comprised of real and synthetic images; the…

Van der Waals heterostructures, which explore the synergetic properties of two-dimensional (2D) materials when assembled into three-dimensional stacks, have already brought to life a number of exciting new phenomena and novel electronic…

Mesoscale and Nanoscale Physics · Physics 2018-08-02 Tatiana Latychevskaia , Colin Robert Woods , Yi Bo Wang , Matthew Holwill , Eric Prestat , Sarah J. Haigh , Kostya S. Novoselov

This work proposes an innovative approach to improve Bragg coherent diffraction imaging (BCDI) microscopy applied to time evolving crystals and/or non-homogeneous crystalline strain fields, identified as two major limitations of BCDI…

Optics · Physics 2024-03-12 I. Calvo-Almazán , V. Chamard , T. Grünewald , M. Allain

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz

A physics-informed machine learning framework based on holomorphic neural networks is introduced for detecting cracks in two-dimensional solids from strain or displacement data. Crack detection is formulated as an inverse problem in which…

Computational Engineering, Finance, and Science · Computer Science 2026-03-16 Jonas Hund , Nicolas Cuenca , Tito Andriollo

Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…

Convolutional Neural Networks (CNN) have emerged as powerful tools for learning discriminative image features. In this paper, we propose a framework of 3-D fully CNN models for Glioblastoma segmentation from multi-modality MRI data. By…

Computer Vision and Pattern Recognition · Computer Science 2016-11-15 Darvin Yi , Mu Zhou , Zhao Chen , Olivier Gevaert

A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson