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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

Understanding atomic hydrogen (H) diffusion in multi-principal element alloys (MPEAs) is essential for advancing clean energy technologies such as H transport, storage, and nuclear fusion applications. However, the vast compositional space…

Materials Science · Physics 2025-05-14 Fei Shuang , Yucheng Ji , Zixiong Wei , Chaofang Dong , Wei Gao , Luca Laurenti , Poulumi Dey

Magnesium alloys are emerging as promising alternatives to traditional orthopedic implant materials thanks to their biodegradability, biocompatibility, and impressive mechanical characteristics. However, their rapid in-vivo degradation…

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Materials Science · Physics 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

The design of efficient electrolysis devices for pure metal production requires accurate data on the properties of the melts used in the process. This work focuses on two key systems for calcium production: the molten Ca-Cu alloy and the…

Materials Science · Physics 2026-03-27 M. Polovinkin , N. Rybin , D. Maksimov , F. Valiev , A. Khudorozhkova , M. Laptev , A. Rudenko , A. Shapeev

Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential…

Addressing the uncertainty and variability in the quality of 3D printed metals can further the wide spread use of this technology. Process mapping for new alloys is crucial for determining optimal process parameters that consistently…

Materials Science · Physics 2024-01-02 David Guirguis , Conrad Tucker , Jack Beuth

The growing interest in energy applications of molten salts is justified by several of their properties. Their possibilities of usage as a coolant, heat transfer fluid or heat storage substrate, require thermo-hydrodynamic refined…

Chemical Physics · Physics 2013-11-12 Roberto Serrano-López , Jordi Fradera , Santiago Cuesta-López

This data set descriptor introduces a structured, high-resolution dataset of transient thermal simulations for a vertical axis of a machine tool test rig. The data set includes temperature and heat flux values recorded at 29 probe locations…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 C. Coelho , D. Fernández , M. Hohmann , L. Penter , S. Ihlenfeldt , O. Niggemann

The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…

The electrification of powertrains is rising as the objective for a more viable future is intensified. To ensure continuous and reliable operation without undesirable malfunctions, it is essential to monitor the internal temperatures of…

Machine Learning · Computer Science 2025-04-29 Panagiotis Kakosimos

Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…

Applied Physics · Physics 2024-03-12 Kaidong Song , A. N. M. Tanvir , Md Omarsany Bappy , Yanliang Zhang

With the popularity of electric vehicles, the demand for lithium-ion batteries is increasing. Temperature significantly influences the performance and safety of batteries. Battery thermal management systems can effectively control the…

Machine Learning · Computer Science 2026-01-07 Zheng Liu , Yuan Jiang , Yumeng Li , Pingfeng Wang

Dense Associative Memory networks (DenseAMs) unify several popular paradigms in Artificial Intelligence (AI), such as Hopfield Networks, transformers, and diffusion models, while casting their computational properties into the language of…

Statistical Mechanics · Physics 2026-04-07 Spencer Rooke , Dmitry Krotov , Vijay Balasubramanian , David Wolpert

Next-generation supercomputers will feature more hierarchical and heterogeneous memory systems with different memory technologies working side-by-side. A critical question is whether at large scale existing HPC applications and emerging…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-27 Ivy Bo Peng , Stefano Markidis , Erwin Laure , Gokcen Kestor , Roberto Gioiosa

A machine learning-accelerated high-throughput (HTP) workflow for the discovery of magnetic materials is presented. As a test case, we screened quaternary and all-$d$ Heusler compounds for stable compounds with large magnetocrystalline…

Materials Science · Physics 2026-01-05 Enda Xiao , Terumasa Tadano

Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…

Materials Science · Physics 2025-09-03 Chung T. Ma , S. Joseph Poon

In this paper we focus on analyzing the thermal modality of tactile sensing for material recognition using a large materials database. Many factors affect thermal recognition performance, including sensor noise, the initial temperatures of…

Robotics · Computer Science 2022-11-02 Haoping Bai , Haofeng Chen , Elizabeth Healy , Charles C. Kemp , Tapomayukh Bhattacharjee

Multi-principal-element metallic alloys have created a growing interest that is unprecedented in metallurgical history, in exploring the property limits of metals and the governing physical mechanisms. Refractory high-entropy alloys (RHEAs)…

Reliable material property data is crucial for trustworthy simulations throughout different areas of engineering. Special care must be taken when materials at extreme conditions are under study. Superconductors and devices assembled from…

Materials Science · Physics 2018-07-04 Antti Stenvall , Valtteri Lahtinen