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The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Nonlinear optical (NLO) materials for generating lasers via second harmonic generation (SHG) are highly sought in today's technology. However, discovering novel materials with considerable SHG is challenging due to the time-consuming and…

材料科学 · 物理学 2025-04-29 Yomn Alkabakibi , Congwei Xie , Artem R. Oganov

The ever-growing deep learning technologies are making revolutionary changes for modern life. However, conventional computing architectures are designed to process sequential and digital programs, being extremely burdened with performing…

新兴技术 · 计算机科学 2022-12-21 Yuyao Huang , Tingzhao Fu , Honghao Huang , Sigang Yang , Hongwei Chen

Existing computer vision and object detection methods strongly rely on neural networks and deep learning. This active research area is used for applications such as autonomous driving, aerial photography, protection, and monitoring.…

计算机视觉与模式识别 · 计算机科学 2022-12-01 Imran Khan Mirani , Chen Tianhua , Malak Abid Ali Khan , Syed Muhammad Aamir , Waseef Menhaj

Machine learning (ML) with in situ diagnostics offers a transformative approach to accelerate, understand, and control thin film synthesis by uncovering relationships between synthesis conditions and material properties. In this study, we…

Liquid crystals are known for their optical birefringence, a property that gives rise to intricate patterns and colors when viewed in a microscope between crossed polarisers. Resulting images are rich in geometric patterns and serve as…

软凝聚态物质 · 物理学 2024-10-24 J. Terroa , M. Tasinkevych , C. S. Dias

We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…

材料科学 · 物理学 2025-10-21 Akira Takahashi , Yu Kumagai , Arata Takamatsu , Fumiyasu Oba

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…

计算机视觉与模式识别 · 计算机科学 2019-01-24 Shan E Ahmed Raza , Linda Cheung , Muhammad Shaban , Simon Graham , David Epstein , Stella Pelengaris , Michael Khan , Nasir M. Rajpoot

Void nucleation in ductile materials subjected to high strain-rate loading remains a critical yet elusive phenomenon to understand. Traditional methods to understand void nucleation typically rely on experiments and molecular dynamics and…

材料科学 · 物理学 2025-09-15 Abhijith Thoopul Anantharanga , Jackson Plummer , Saryu Fensin , Brandon Runnels

In an effort to explore high-throughput processing of microscopic image data, a method based on deep convolutional neural network is proposed. The state-of-the-art computer vision algorithm, Faster R-CNN, was trained for the detection of…

无序系统与神经网络 · 物理学 2021-03-09 Ze-Bin Wu

The three scanning electron microscope diffraction based techniques of electron channelling patterns (ECPs), electron channelling contrast imaging (ECCI), and electron back scatter diffraction (EBSD) are reviewed. The dynamical diffraction…

材料科学 · 物理学 2019-04-12 AJ Wilkinson , PB Hirsch

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…

材料科学 · 物理学 2021-01-19 Shin Kiyohara , Tomohiro Miyata , Teruyasu Mizoguchi

In this paper we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of: i) highlighting connections with techniques from statistics, signal processing, linear algebra, differential equations, and…

机器学习 · 计算机科学 2021-07-08 Shengli Jiang , Victor M. Zavala

In Bragg Coherent Diffraction Imaging (BCDI), Phase Retrieval of highly strained crystals is often challenging with standard iterative algorithms. This computational obstacle limits the potential of the technique as it precludes the…

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.…

材料科学 · 物理学 2025-07-31 Joseph J. Webb , Richard Beanland , Rudolf A. Römer

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

材料科学 · 物理学 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

Deep learning has established many new state of the art solutions in the last decade in areas such as object, scene and speech recognition. In particular Convolutional Neural Network (CNN) is a category of deep learning which obtains…

计算机视觉与模式识别 · 计算机科学 2016-09-26 Vincent Andrearczyk , Paul F. Whelan

The recently proposed crystal graph convolutional neural network (CGCNN) offers a highly versatile and accurate machine learning (ML) framework by learning material properties directly from graph-like representations of crystal structures…

计算物理 · 物理学 2020-07-01 Cheol Woo Park , Chris Wolverton

In this paper, we establish a new scheme for identification and classification of high intensity events generated by the propagation of light through a photorefractive SBN crystal. Among these events, which are the inevitable consequence of…

斑图形成与孤子 · 物理学 2020-04-22 Marija Ivanovic , Ana Mancic , Carla Herman-Avigliano , Ljupco Hadzievski , Aleksandra Maluckov

The use of reflection high energy electron diffraction (RHEED) plays a critical role for in-situ characterization in molecular beam epitaxy, pulsed laser deposition and sputtering. While sensitive to crystal symmetries and morphology, it is…