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The formation and subsequent growth of structural defects in an irradiated material can strongly influence the material's performance in technological and industrial applications. Predicting how the growth of defects affects material…

A deep neural network was developed for the purpose of predicting thermal conductivity with a case study performed on neutron irradiated nuclear fuel. Traditional thermal conductivity modeling approaches rely on existing theoretical…

Materials Science · Physics 2019-01-04 Elizabeth Kautz , Alexander Hagen , Jesse Johns , Douglas Burkes

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

Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…

Machine Learning · Statistics 2021-10-19 Rodolfo S. M. Freitas , Ágatha P. F. Lima , Cheng Chen , Fernando A. Rochinha , Daniel Mira , Xi Jiang

UZr based metallic nuclear fuel is the leading candidate for next-generation sodium-cooled fast reactors in the United States. US research reactors have been using and testing this fuel type since the 1960s and accumulated considerable…

The calculation of reactive properties is a challenging task in chemical reaction discovery. Machine learning (ML) methods play an important role in accelerating electronic structure predictions of activation energies and reaction…

Chemical Physics · Physics 2025-05-02 Joe Gilkes , Mark Storr , Reinhard J. Maurer , Scott Habershon

The widespread application of machine learning (ML) to the chemical sciences is making it very important to understand how the ML models learn to correlate chemical structures with their properties, and what can be done to improve the…

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning,…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Xu Wu , Lesego E. Moloko , Pavel M. Bokov , Gregory K. Delipei , Joshua Kaizer , Kostadin N. Ivanov

Understanding and accurately predicting hydrogen diffusion in materials is challenging due to the complex interactions between hydrogen defects and the crystal lattice. These interactions span large length and time scales, making them…

Machine-learning methods are nowadays of common use in the field of material science. For example, they can aid in optimizing the physicochemical properties of new materials, or help in the characterization of highly complex chemical…

Disordered Systems and Neural Networks · Physics 2022-11-29 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Serenah Rajaonson , Didier Bathellier , Emeric Bourasseau

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

Atmospheric nitrogen oxides (NOx) primarily from fuel combustion have recognized acute and chronic health and environmental effects. Machine learning (ML) methods have significantly enhanced our capacity to predict NOx concentrations at…

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…

Materials Science · Physics 2023-10-30 Grace M. Lu , Matthew Witman , Sapan Agarwal , Vitalie Stavila , Dallas R. Trinkle

The goal of this work is to develop accurate Machine Learning (ML) models for predicting the assembly axial neutron flux profiles in the SAFARI-1 research reactor, trained by measurement data from historical cycles. The data-driven nature…

Machine Learning · Computer Science 2023-12-25 Lesego Moloko , Pavel Bokov , Xu Wu , Kostadin Ivanov

Advances in Deep Learning bring further investigation into credibility and robustness, especially for safety-critical engineering applications such as the nuclear industry. The key challenges include the availability of data set (often…

Machine Learning · Computer Science 2024-05-29 Yu Chen , Edoardo Patelli , Zhen Yang , Adolphus Lye

This study explores the integration of machine learning (ML) techniques with large eddy simulation (LES) for predicting species mass fraction and flame characteristics in partially premixed turbulent jet flames. The LES simulations,…

Fluid Dynamics · Physics 2025-05-05 Amirali Shateri , Zhiyin Yang , Jianfei Xie

The accurate calculation and uncertainty quantification of the characteristics of spent nuclear fuel (SNF) play a crucial role in ensuring the safety, efficiency, and sustainability of nuclear energy production, waste management, and…

Machine Learning · Computer Science 2023-08-17 Arnau Albà , Andreas Adelmann , Lucas Münster , Dimitri Rochman , Romana Boiger

Deep generative modeling provides a powerful pathway to overcome data scarcity in energy-related applications where experimental data are often limited, costly, or difficult to obtain. By learning the underlying probability distribution of…

Machine Learning · Computer Science 2025-11-21 Farah Alsafadi , Alexandra Akins , Xu Wu
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