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Controlling crystalline material defects is crucial, as they affect properties of the material that may be detrimental or beneficial for the final performance of a device. Defect analysis on the sub-nanometer scale is enabled by…

Materials Science · Physics 2021-06-03 Nik Dennler , Antonio Foncubierta-Rodriguez , Titus Neupert , Marilyne Sousa

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

Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…

Materials Science · Physics 2018-07-19 A. Ziletti , D. Kumar , M. Scheffler , L. M. Ghiringhelli

As the advancements in the field of artificial intelligence and nonlinear optics continues new methods can be used to better describe and determine nonlinear optical phenomena. In this research we aimed to analyze the diffraction patterns…

Data Analysis, Statistics and Probability · Physics 2023-02-17 Behnam Pishnamazi , Ehsan Koushki

Electron charge density distribution of materials is one of the key quantities in computational materials science as theoretically it determines the ground state energy and practically it is used in many materials analyses. However, the…

Computational Physics · Physics 2019-11-13 Sheng Gong , Tian Xie , Taishan Zhu , Shuo Wang , Eric R. Fadel , Yawei Li , Jeffrey C. Grossman

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Computational Physics · Physics 2021-01-29 Massimiliano Lupo Pasini , Ying Wai Li , Junqi Yin , Jiaxin Zhang , Kipton Barros , Markus Eisenbach

We describe the development of artificial neural networks (ANN) for the prediction of the properties of ceramic materials. The ceramics studied here include polycrystalline, inorganic, non-metallic materials and are investigated on the…

Materials Science · Physics 2007-05-23 D. J. Scott , P. V. Coveney , J. A. Kilner , J. C. H. Rossiny , N. Mc N. Alford

Precise and accurate determination of crystallographic orientation is crucial for engineering van der Waals heterostructures, where the twist angle between layers controls emergent electronic and optical properties. While Electron…

Materials Science · Physics 2026-03-11 R. Bangari , M. Mosayebi , J. Buchner , J. D. Caldwell , N. Bassim , T. G. Folland

Filament identification became a key step to tackling fundamental problems in various fields of Astronomy. Nevertheless, existing filament identification algorithms are critically user-dependent and require individual parametrization. In…

Instrumentation and Methods for Astrophysics · Physics 2022-07-22 D. Alina , A. Shomanov , S. Baimukhametova

The appearance of direct electron detectors marked a new era for electron diffraction. Their high sensitivity and low noise opens the possibility to extend electron diffraction from transmission electron microscopes (TEM) to lower energies…

Applied Physics · Physics 2025-02-18 Nikita Denisov , Andrey Orekhov , Johan Verbeeck

Monitoring ground displacement is crucial for urban infrastructure stability and mitigating geological hazards. However, forecasting future deformation from sparse Interferometric Synthetic Aperture Radar (InSAR) time-series data remains a…

Computer Vision and Pattern Recognition · Computer Science 2025-09-24 Wendong Yao , Saeed Azadnejad , Binhua Huang , Shane Donohue , Soumyabrata Dev

Accurately predicting the elastic properties of crystalline solids is vital for computational materials science. However, traditional atomistic scale ab initio approaches are computationally intensive, especially for studying complex…

Disordered Systems and Neural Networks · Physics 2023-11-13 Teerachote Pakornchote , Annop Ektarawong , Thiparat Chotibut

In this work, we try to address the challenging problem of dimple detection and segmentation in Titanium alloys using machine learning methods, especially neural networks. The images i.e. fractographs are obtained using a Scanning Election…

Image and Video Processing · Electrical Eng. & Systems 2020-10-02 Ashish Sinha , K S Suresh

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

We present a few recent developments in the field of electron backscatter diffraction (EBSD). We highlight how open source algorithms and open data formats can be used to rapidly to develop microstructural insight of materials. We include…

Computational Physics · Physics 2019-08-15 Alex Foden , Alessandro Previero , Thomas Benjamin Britton

Object segmentation and structure localization are important steps in automated image analysis pipelines for microscopy images. We present a convolution neural network (CNN) based deep learning architecture for segmentation of objects in…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 Shan E Ahmed Raza , Linda Cheung , Muhammad Shaban , Simon Graham , David Epstein , Stella Pelengaris , Michael Khan , Nasir M. Rajpoot

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…

Machine Learning · Computer Science 2025-07-21 Aileen Luo , Tao Zhou , Ming Du , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

Deep Convolutional Neural Networks (DCNN) have been proven to be effective for various computer vision problems. In this work, we demonstrate its effectiveness on a continuous object orientation estimation task, which requires prediction of…

Computer Vision and Pattern Recognition · Computer Science 2017-02-07 Kota Hara , Raviteja Vemulapalli , Rama Chellappa

With the rapid growth in the semiconductor industry, it is becoming critical to detect and classify increasingly smaller patterned defects. Recently machine learning, including deep learning, has come to aid in this endeavor in a big way.…

Mesoscale and Nanoscale Physics · Physics 2022-11-24 Ravikiran Attota

We present DeepTract, a deep-learning framework for estimating white matter fibers orientation and streamline tractography. We adopt a data-driven approach for fiber reconstruction from diffusion weighted images (DWI), which does not assume…

Computer Vision and Pattern Recognition · Computer Science 2019-10-18 Itay Benou , Tammy Riklin-Raviv
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