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Refractory Complex Concentrated Alloys (RCCAs) can exhibit exceptional high-temperature strength, making such alloys promising candidates for high-temperature structural applications. However, current RCCAs do not possess the…

Materials Science · Physics 2025-11-04 Akhil Bejjipurapu , Alejandro Strachan , Kenneth H. Sandhage , Michael S. Titus

Refractory compositionally complex alloys (RCCAs) are considered the next generation high-temperature materials. However, their high-dimensional composition spaces are too large to explore by traditional density functional theory or…

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

Refractory complex concentrated alloys, composed of multiple principal refractory elements, are promising candidates for high-temperature structural applications due to their exceptional thermal stability and high melting points. However,…

Refractory high-entropy alloys (RHEAs) are a promising class of alloys that show elevated-temperature yield strengths and have potential to use as high-performance materials in gas turbine engines. However, exploring the vast RHEA…

Materials Science · Physics 2021-12-07 Stephen A. Giles , Debasis Sengupta , Scott R. Broderick , Krishna Rajan

The ability to predict the composition- and temperature-dependent stability of refractory complex concentrated alloys (RCCAs) is vital to the design of high-temperature structural alloys. Here, we present a model based on first-principles…

Materials Science · Physics 2022-10-27 Zhaohan Zhang , Mu Li , John Cavin , Katharine Flores , Rohan Mishra

The development of structural materials capable of sustained operation above 1200 {\deg}C is critical for next-generation energy and aerospace systems; however, Ni-based superalloys are fundamentally constrained by their melting…

Materials Science · Physics 2026-02-10 Ayeman M. Nahin , Jacob Pustelnik , Jessica Dong , Tamanna Zakia , Mingwei Zhang

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…

Materials Science · Physics 2024-03-12 Nathan Johnson , Aashwin Ananda Mishra , Apurva Mehta

Refractory high-entropy alloys (RHEAs) are compositionally complex materials which have been demonstrated to have the potential for exceptional strength at high operating temperatures. However, their composition space is vast, and other…

Materials Science · Physics 2025-11-21 Stephen A. Giles , Hugh Shortt , Peter K. Liaw , Debasis Sengupta

Refractory high-entropy alloys, RHEAs, are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers…

Materials Science · Physics 2023-12-11 Jie Qi , Xuesong Fan , Diego Ibarra Hoyos , Michael Widom , Peter K. Liaw , Joseph Poon

Development of process-structure-property relationships in materials science is an important and challenging frontier which promises improved materials and reduced time and cost in production. Refractory high entropy alloys (RHEAs) are a…

Materials Science · Physics 2023-04-28 Stephen A. Giles , Hugh Shortt , Peter K. Liaw , Debasis Sengupta

The enthalpy of mixing in the liquid phase is an important property for predicting phase formation in alloys. It can be estimated in a large compositional space from pair wise interactions between elements, for which machine learning has…

Materials Science · Physics 2026-02-10 Quentin Bizot , Ryo Tamura , Guillaume Deffrennes

Refractory multi-principal element alloys (RMPEAs) represent a novel class of alloys characterized by an extensive compositional design space and the potential for exceptional mechanical performance under extreme conditions. While accurate…

Materials Science · Physics 2026-04-21 A. K. Shargh , C. D. Stiles , J. A. El-Awady

High-entropy alloys (HEAs) are metallic materials with solid solutions stabilized by high mixing entropy. Some exhibit excellent strength, often accompanied by additional properties such as magnetic, invar, corrosion, or cryogenic response.…

Materials Science · Physics 2024-09-26 Anurag Bajpai , Ziyuan Rao , Abhinav Dixit , Krishanu Biswas , Dierk Raabe

The mechanical properties of complex concentrated alloys (CCAs) depend on their forming phases and corresponding structures, the prediction of the phase formation for a given CCA is essential to its discovery and applications. 541 sample…

Applied Physics · Physics 2025-11-07 Jie Xiong , San-Qiang Shi , Tong-Yi Zhang

High-Entropy/multicomponent rare-earth oxides (HECs and MCCs) show promise as alternative materials for thermal barrier coatings (TBC) with the ability to tailor properties based on the combination of rare-earth elements present. By…

Materials Science · Physics 2025-11-27 Amiya Chowdhury , Acacio Rincon Romero , Grazziela Figueredo , Tanvir Hussain

Refractory high-entropy alloys can function at temperatures exceeding those of nickel-based superalloys. Aluminum, as an alloying element, contributes multiple advantageous characteristics to various high-temperature alloys. The Aluminum…

Materials Science · Physics 2025-03-28 M. Sreenidhi Iyengar , M. K Anirudh , P. H. Anantha Desik , M. P. Phaniraj

High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as…

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

Refractory complex concentrated alloys (RCCAs) show promise for high-temperature applications but often lose strength due to screw-dislocation-controlled plasticity. We demonstrate a temperature-driven transition from screw- to…

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