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Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…

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

The development of oxidation-resistant high-entropy alloy (HEA) bond coats is restricted by the limited understanding of how multi-principal element interactions govern scale formation across temperatures. This study uncovers new oxidation…

Materials Science · Physics 2025-12-18 Dennis Boakye , Chuang Deng

High Entropy Alloys (HEAs), Multi-principal Component Alloys (MCA), or Compositionally Complex Alloys (CCAs) are alloys that contain multiple principal alloying elements. While many HEAs have been shown to have unique properties, their…

High-entropy alloys, which exist in the high-dimensional composition space, provide enormous unique opportunities for realizing unprecedented structural and functional properties. A fundamental challenge, however, lies in how to predict the…

Materials Science · Physics 2021-05-20 Jie Qi , Andrew M. Cheung , S. Joseph Poon

Resorbable magnesium (Mg) alloys are promising candidates for temporary medical devices due to their biodegradability and favorable mechanical properties. To accelerate the design of diluted Mg alloys for implants, we developed a…

Materials Science · Physics 2026-04-23 Vickey Nandal , Vít Beneš , Pavel Baláž , Jiří Ryjáček , Karel Tesař

Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…

This study presents a computationally efficient framework for accelerated alloy discovery that uses the non-interacting electron density to capture intrinsic structure-property relationships in refractory high-entropy alloys (HEAs). Unlike…

Materials Science · Physics 2026-04-28 Pranoy Ray , Sayan Bhowmik , Phanish Suryanarayana , Surya R. Kalidindi , Andrew J. Medford

The development of high-entropy alloys (HEAs) has marked a paradigm shift in alloy design, moving away from traditional methods that prioritize a dominant base metal enhanced by minor elements. HEAs instead incorporate multiple alloying…

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…

We demonstrate the development of a series of refractory high-entropy alloys containing aluminum AlRHEAs in the ordered BCC-B2 phase by varying the aluminum content within 10 to 25 atomic percent, with the goal of high strength and good…

Materials Science · Physics 2024-02-27 Jie Qi , Xuesong Fan , Diego Ibarra Hoyos , Peter K. Liaw , S. Joseph Poon

High entropy alloys (HEAs) have been increasingly attractive as promising next-generation materials due to their various excellent properties. It's necessary to essentially characterize the degree of chemical ordering and identify…

Materials Science · Physics 2019-08-13 Jiaxin Zhang , Xianglin Liu , Sirui Bi , Junqi Yin , Guannan Zhang , Markus Eisenbach

The rapid development of computational materials science powered by machine learning (ML) is gradually leading to solutions to several previously intractable scientific problems. One of the most prominent is machine learning interatomic…

Materials Science · Physics 2025-05-27 Xiao Fu , Jing Xu , Qifan Yang , Xuhe Gong , Jingchen Lian , Liqi Wang , Zibin Wang , Ruijuan Xiao , Hong Li

We combined descriptor-based analytical models for stiffness-matrix and elastic-moduli with mean-field methods to accelerate assessment of technologically useful properties of high-entropy alloys, such as strength and ductility. Model…

New refractory alloys are being continuously designed and characterised for applications requiring good high-temperature mechanical properties and stability. Computational design from atomistic simulations is limited by interatomic…

Materials Science · Physics 2026-03-05 Jesper Byggmästar , Tiago Lopes , Zheyong Fan , Tapio Ala-Nissila

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

A simple fitting approach is used for modeling the compressive yield strength of body centered cubic (bcc) solid solution high entropy alloys in Al-Hf-Nb-Mo-Ta-Ti-V-Zr system. It is proposed that the yield strength could be modeled by a…

Materials Science · Physics 2020-08-21 Ali Shafiei

High-entropy alloys (HEAs) are materials that consist of equimolar or near-equimolar multiple principal components but tend to form single phases, which is a new research topic in the field of metallurgy, have attracted extensive attention…

Materials Science · Physics 2021-02-19 Yuanyuan Shang , Jamieson Brechtl , Claudio Psitidda , Peter K. Liaw

Low-temperature alloys are important for a wide spectrum of modern technologies ranging from liquid hydrogen, and superconductivity to quantum technology. These applications push the limit of material performance into extreme coldness,…

Materials Science · Physics 2025-03-19 Haoxuan Tang , Zhiyuan Chen , Xin Yao , Zhiping Xu