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The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…

There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys (MPEAs). In this paper, we develop a machine learning (ML)…

Materials Science · Physics 2022-06-22 Kyungtae Lee , Mukil Ayyasamy , Paige Delsa , Timothy Q. Hartnett , Prasanna V. Balachandran

Signal-agnostic data exploration based on machine learning could unveil very subtle statistical deviations of collider data from the expected Standard Model of particle physics. The beneficial impact of a large training sample on machine…

High Energy Physics - Experiment · Physics 2024-09-17 Gaia Grosso

Atom probe tomography (APT) provides the three-dimensional composition of materials at near-atomic length scales, achieving detection limits in the range of tens of atomic parts-per-million regardless of element type. APT requires the…

Artificial intelligence (AI) techniques for image-based segmentation have garnered much attention in recent years. Convolutional neural networks (CNNs) have shown impressive results and potential towards fully automated segmentation in…

Medical Physics · Physics 2021-11-17 Fereshteh Yousefirizi , Abhinav K. Jha , Julia Brosch-Lenz , Babak Saboury , Arman Rahmim

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

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Neural network (NN) models are increasingly used in scientific simulations, AI, and other high performance computing (HPC) fields to extract knowledge from datasets. Each dataset requires tailored NN model architecture, but designing…

Machine Learning · Computer Science 2021-08-12 Ariel Keller Rorabaugh , Silvina Caíno-Lores , Michael R. Wyatt , Travis Johnston , Michela Taufer

Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules. A regular task of STM image…

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Power transformers are an important component of a nuclear power plant (NPP). Currently, the NPP operates a lot of power transformers with extended service life, which exceeds the designated 25 years. Due to the extension of the service…

Machine Learning · Computer Science 2022-11-22 Iurii Katser , Dmitriy Raspopov , Vyacheslav Kozitsin , Maxim Mezhov

The deep neural networks (DNNs) have been enormously successful in tasks that were hitherto in the human-only realm such as image recognition, and language translation. Owing to their success the DNNs are being explored for use in ever more…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-20 Sanket Tavarageri , Srinivas Sridharan , Bharat Kaul

The use of machine learning interatomic potentials (MLIPs) in simulations of materials is a state-of-the-art approach, which allows achieving nearly \textit{ab initio} accuracy with orders of magnitude less computational cost.…

Materials Science · Physics 2021-10-28 R. E. Ryltsev , N. M. Chtchelkatchev

There is a high demand for fully automated methods for the analysis of primary particle size distributions of agglomerates on transmission electron microscopy images. Therefore, a novel method, based on the utilization of artificial neural…

Computer Vision and Pattern Recognition · Computer Science 2018-06-12 Max Frei , Frank Einar Kruis

Detector simulation and reconstruction are a significant computational bottleneck in particle physics. We develop Particle-flow Neural Assisted Simulations (Parnassus) to address this challenge. Our deep learning model takes as input a…

Data Analysis, Statistics and Probability · Physics 2024-11-22 Etienne Dreyer , Eilam Gross , Dmitrii Kobylianskii , Vinicius Mikuni , Benjamin Nachman , Nathalie Soybelman

A central challenge in the development of nanophotonic structures is identifying the optimal design for a target functionality, and understanding the physical mechanisms that enable the optimized device's capabilities. Previously…

The ability to perform nanometer-scale optical imaging and spectroscopy is key to deciphering the low-energy effects in quantum materials, as well as vibrational fingerprints in planetary and extraterrestrial particles, catalytic…

In the field of materials science, microscopy is the first and often only accessible method for structural characterization. There is a growing interest in the development of machine learning methods that can automate the analysis and…

Materials Science · Physics 2022-09-28 Shizhao Lu , Brian Montz , Todd Emrick , Arthi Jayaraman

Nanoprecipitation, the rapid solvent-displacement route to nanoscale phase separation, has matured from a simple batch operation into a versatile platform for nanomaterial synthesis. This review synthesizes recent progress in…

Chemical Physics · Physics 2025-11-19 Mingbo Li , Junhao Cai , Yawen Gao

The prediction of nanoparticles (NPs) distribution is crucial for the diagnosis and treatment of tumors. Recent studies indicate that the heterogeneity of tumor microenvironment (TME) highly affects the distribution of NPs across tumors.…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Junjie Zhou , Shouju Wang , Yuxia Tang , Qi Zhu , Daoqiang Zhang , Wei Shao