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Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…

Materials Science · Physics 2024-02-27 Andrew Novick , Diana Cai , Quan Nguyen , Roman Garnett , Ryan Adams , Eric Toberer

Multi-principal element alloys (MPEAs) are produced by combining metallic elements in what is a diverse range of proportions. MPEAs reported to date have revealed promising performance due to their exceptional mechanical properties.…

Materials Science · Physics 2023-08-16 R. Tan , Z. Li , S. Zhao , N. Birbilis

Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…

Materials Science · Physics 2021-10-18 David E. Farache , Juan C. Verduzco , Zachary D. McClure , Saaketh Desai , Alejandro Strachan

Two new refractory amorphous high-entropy alloys (RAHEAs) within the W--Ta--Cr--V and W--Ta--Cr--V--Hf systems were herein synthesized using magnetron-sputtering and tested under high-temperature annealing and displacing irradiation using…

Materials Science · Physics 2023-03-27 Matheus A. Tunes , Hi T. Vo , Jon K. S. Baldwin , Tarik A. Saleh , Saryu J. Fensin , Osman El-Atwani

Quantitative understanding of rare earth element (REE) mineralization mechanisms, crucial for improving industrial separation, remains limited. This study leverages 1239 hydrothermal synthesis datapoints from material science as a surrogate…

Materials Science · Physics 2025-04-10 Juejing Liu , Xiaoxu Li , Yifu Feng , Zheming Wang , Kevin M. Rosso , Xiaofeng Guo , Xin Zhang

Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of integrated chemistry, process, structure, and property data…

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

Artificial Intelligence · Computer Science 2023-03-27 Aparna S. Varde , Jianyu Liang

The advent of computational material sciences has paved the way for data-driven approaches for modeling and fabrication of materials. The prediction of properties like the glass-forming ability (GFA) by using the variation in alloy…

Materials Science · Physics 2020-05-19 Akash Ravi , Prakash P , Kailashnath N

Aluminum is a widely used alloy, which is susceptible to fatigue failure. Characterizing fatigue performance for materials is extremely time and cost demanding, especially for high cycle data. To help mitigate this, a transfer learning…

Machine Learning · Computer Science 2025-10-07 Aryan Patel

Refractory High-Entropy Alloys (RHEAs) hold promising potential to be used as structural materials in future nuclear fusion reactors, where W and its alloys are currently leading candidates. Fusion materials must be able to withstand…

The Young's modulus $E$ is the key mechanical property that determines the resistance of solids to tension/compression. In the present work, the correlation of the quantity $E$ with such characteristics as the total molar mass $M$ of alloy…

Materials Science · Physics 2023-06-16 B. N. Galimzyanov , M. A. Doronina , A. V. Mokshin

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Computational Physics · Physics 2021-01-29 Massimiliano Lupo Pasini , Ying Wai Li , Junqi Yin , Jiaxin Zhang , Kipton Barros , Markus Eisenbach

The development of resilient and lightweight Aluminum alloys is central to advancing structural materials for energy-efficient engineering applications. To address this challenge, in this study, we explore the elastic properties of Al-Mg-Zr…

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Superconductors, which are crucial for modern advanced technologies due to their zero-resistance properties, are limited by low Tc and the difficulty of accurate prediction. This article made the initial endeavor to apply machine learning…

Superconductivity · Physics 2025-01-10 Chen Hua , Jing Liu

Machine learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work,…

Materials Science · Physics 2019-05-24 Rajendra P. Joshi , Jesse Eickholt , Liling Li , Marco Fornari , Veronica Barone , Juan E. Peralta

The experimental determination of eutectic points is a long-established and widely used technique, but it is generally only practical for systems with relatively low melting points. Many modern, promising materials, however, are…

Disordered Systems and Neural Networks · Physics 2026-05-18 V. E. Valiulin , A. V. Mikheyenkov , N. M. Chtchelkatchev , E. A. Levashov

While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use to search for optimal trade-offs between competing properties is hampered by high…

Materials Science · Physics 2024-07-25 Franco Moitzi , Lorenz Romaner , Max Hodapp , Andrei V. Ruban , Oleg E. Peil

Process optimization for metal additive manufacturing (AM) is crucial to ensure repeatability, control microstructure, and minimize defects. Despite efforts to address this via the traditional design of experiments and statistical process…

Machine Learning · Computer Science 2022-11-18 Susheel Dharmadhikari , Nandana Menon , Amrita Basak