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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…

The modeling of realistic magnetic materials requires the inclusion of defects. Based on the pseudospectral Landau-Lifshitz description of magnetisation dynamics, we propose a statistical model that takes into account defects, specifically…

Mesoscale and Nanoscale Physics · Physics 2026-03-12 C. Eagan , M. Copus , E. Iacocca

Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional theory (DFT) calculations have typically been used to obtain…

Materials Science · Physics 2019-04-12 Byung Chul Yeo , Donghun Kim , Chansoo Kim , Sang Soo Han

Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical…

Defect detection is a basic and essential task in automatic parts production, especially for automotive engine precision parts. In this paper, we propose a new idea to construct a deep convolutional network combining related knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Zhenshen Qu , Jianxiong Shen , Ruikun Li , Junyu Liu , Qiuyu Guan

As industrial products become abundant and sophisticated, visual industrial defect detection receives much attention, including two-dimensional and three-dimensional visual feature modeling. Traditional methods use statistical analysis,…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Tianle Yang , Luyao Chang , Jiadong Yan , Juntao Li , Zhi Wang , Ke Zhang

The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…

Computational Physics · Physics 2020-04-20 U. von Toussaint , F. J. Dominguez-Gutierrez , M. Compostella , M. Rampp

Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a…

Materials Science · Physics 2026-05-21 Junjie Wu , Timothy J. Rupert

2D materials offer an ideal platform to study the strain fields induced by individual atomic defects, yet challenges associated with radiation damage have so-far limited electron microscopy methods to probe these atomic-scale strain fields.…

Point defects in semiconductors offer a promising platform for advancing quantum technologies due to their localized energy states and controllable spin properties. Prior research has focused on a limited set of defects within materials…

Materials Science · Physics 2025-08-14 Oscar Groppfeldt , Joel Davidsson , Rickard Armiento

The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…

Materials Science · Physics 2026-05-11 Kammampati Sai Kumar , Albert Linda , Shubham Kumar Maurya , Somnath Bhowmick

With continuous progression of Moore's Law, integrated circuit (IC) device complexity is also increasing. Scanning Electron Microscope (SEM) image based extensive defect inspection and accurate metrology extraction are two main challenges…

Computer Vision and Pattern Recognition · Computer Science 2023-08-17 Vic De Ridder , Bappaditya Dey , Sandip Halder , Bartel Van Waeyenberge

Most machine learning models for materials science rely on descriptors based on materials compositions and structures, even though the chemical bond has been proven to be a valuable concept for predicting materials properties. Over the…

The detection of manufacturing errors is crucial in fabrication processes to ensure product quality and safety standards. Since many defects occur very rarely and their characteristics are mostly unknown a priori, their detection is still…

Computer Vision and Pattern Recognition · Computer Science 2020-08-31 Marco Rudolph , Bastian Wandt , Bodo Rosenhahn

The population of dislocation defects in a crystalline material strongly influences its properties, so the ability to analyse this population in experimental samples is of great utility. As a complement to direct counting in the…

Materials Science · Physics 2022-05-02 C P Race , T Ungar , G Ribarik

Recent advances in materials informatics have expanded the number of synthesizable materials. However, screening promising candidates, such as semiconductors, based on defect properties remains challenging. This is primarily due to the lack…

Materials Science · Physics 2025-12-15 Shin Kiyohara , Chisa Shibui , Soungmin Bae , Yu Kumagai

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…

The purity of graphene samples is of crucial importance for their experimental and practical use. In this regard, the detection of the defects is of direct relevance. Here, we show that structural defects in graphene samples give rise to…

Materials Science · Physics 2015-10-29 Sandeep K. Jain , Vladimir Juricic , Gerard T. Barkema

Point defects exist widely in engineering materials and are known to scatter vibrational modes to reduce thermal conductivity. The Klemens description of point defect scattering is the most prolific analytical model for this effect. This…

Materials Science · Physics 2020-03-11 Ramya Gurunathan , Riley Hanus , Maxwell Dylla , Ankita Katre , G. Jeffrey Snyder