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This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…

Materials Science · Physics 2020-12-15 Baldur Steingrimsson , Xuesong Fan , Anand Kulkarni , Michael C. Gao , Peter K. Liaw

Safe and high-density storage of hydrogen, for a clean-fuel economy, can be realized by hydride-forming materials, but these materials should be able to store hydrogen at room temperature. Some high-entropy alloys (HEAs) have recently been…

Materials Science · Physics 2024-05-31 Shivam Dangwal , Yuji Ikeda , Blazej Grabowski , Kaveh Edalati

High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional mechanical properties and the vast compositional space for new HEAs. However, understanding their novel physical mechanisms and then using these…

Materials Science · Physics 2022-09-08 Xianglin Liu , Jiaxin Zhang , Zongrui Pei

Accelerating the design of materials with targeted properties is one of the key materials informatics tasks. The most common approach takes a data-driven motivation, where the underlying knowledge is incorporated in the form of…

Materials Science · Physics 2022-09-28 Shunshun Liu , Kyungtae Lee , Prasanna V. Balachandran

A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality…

Materials Science · Physics 2019-04-10 Dongwon Shin , Yukinori Yamamoto , Michael P. Brady , Sangkeun Lee , J. Allen Haynes

The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

High-entropy alloys are characterized by high configurational entropy. Since the discovery of high-entropy alloys (HEA) in 2004, entropy engineering has provided a promising direction for exploiting composition, lattice disorder, band…

Materials Science · Physics 2019-11-12 S. Joseph Poon , Jian He

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

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…

High entropy alloys (HEAs) are a recently-opened research area in materials science and condensed matter physics. Although 3d-metal-based HEAs have already been the subject of many investigations, studies of HEA superconductors, which tend…

Superconductivity · Physics 2019-09-11 Liling Sun , R. J. Cava

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

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) 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

High-entropy alloys (HEAs) comprise a compositionally complex class of materials that in certain cases exhibit outstanding mechanical properties. While substantial progress has been made in understanding their phase stability,…

Materials Science · Physics 2025-12-15 Mingwei Zhang , Uwe Glatzel , Martin Heilmaier , Easo P. George

This study introduces a language transformer-based machine learning model to predict key mechanical properties of high-entropy alloys (HEAs), addressing the challenges due to their complex, multi-principal element compositions and limited…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Spyros Kamnis , Konstantinos Delibasis

The mechanical and thermal performance of high-entropy ceramics are critical to their use in extreme conditions. However, the vast composition space of high-entropy ceramic significantly hinders their development with desired mechanical and…

Materials Science · Physics 2024-09-20 Yiwen Liu , Hong Meng , Zijie Zhu , Hulei Yu , Lei Zhuang , Yanhui Chu

High-entropy alloys (HEAs) refer to alloys composed of five or more elements in equal or near-equal amounts or in an atomic concentration range of 5 to 35 atomic percent (at%). Different elemental ratios will affect the microstructures of…

Materials Science · Physics 2025-02-25 Shiyi Chen , Xuesong Fan , Hugh Shortt , Baldur Steingrimsson , Weidong Li , Peter Liaw

Machine learning is becoming a powerful tool to predict temperature-dependent yield strengths (YS) of structural materials, particularly for multi-principal-element systems. However, successful machine-learning predictions depend on the use…

Materials Science · Physics 2022-07-13 Baldur Steingrimsson , Xuesong Fan , Rui Feng , Peter K. Liaw

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

Materials Science · Physics 2024-11-06 Adam M. Krajewski

Materials with higher operating temperatures than today's state of the art can improve system performance in several applications and enable new technologies. Under most scenarios, a protective oxide scale with high melting temperatures and…

Materials Science · Physics 2020-07-27 Zachary D. McClure , Alejandro H. Strachan
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