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Machine learning and high-throughput computational guided development of high temperature oxidation-resisting Ni-Co-Cr-Al-Fe based high-entropy alloys
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作者 Xingru Tan William Trehern +10 位作者 Aditya Sundar Yi Wang Saro San Tianwei Lu Fan Zhou Ting Sun Youyuan Zhang Yuying Wen Zhichao Liu Michael Gao Shanshan Hu 《npj Computational Materials》 2025年第1期975-990,共16页
Ni-Co-Cr-Al-Fe-based high-entropy alloys(HEAs)have been demonstrated to possess exceptional oxidation resistance,rendering them promising candidates as bond coats to protect critical components in turbine power system... Ni-Co-Cr-Al-Fe-based high-entropy alloys(HEAs)have been demonstrated to possess exceptional oxidation resistance,rendering them promising candidates as bond coats to protect critical components in turbine power systems.However,with the conventional time-consuming alloy design approach,only a small fraction of Ni-Co-Cr-Al-Fe-based HEAs,focusing on equiatomic compositions,has been explored to date.In this study,we developed an effective design framework with the aid of machine learning(ML)and high throughput computations,enabling the rapid exploration of high-temperature oxidation-resistant non-equiatomic HEAs.This innovative approach leverages ML techniques to swiftly select candidates with superior oxidation resistance within the expansive high-entropy composition landscape.Complemented by a thermodynamic-informed ranking-based selection process,several novel non-equiatomic Ni-Co-Cr-Al-Fe HEA candidates surpassing the oxidation resistance of the state-of-the-art bond coat material MCrAlY have been identified and further experimentally demonstrated.Our findings offer a pathway for the development of advanced bond coats in the realm of next-generation turbine engine technology. 展开更多
关键词 turbine power systemshoweverwith high entropy alloys high throughput co machine learning ml bond coats machine learning oxidation resistance protect critical components
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