Machine-learned accelerated discovery of oxidation-resistant NiCoCrAl high-entropy alloys
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arXiv
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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866915682040414208 |
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| author | Boakye, Dennis Deng, Chuang |
| author_facet | Boakye, Dennis Deng, Chuang |
| contents | 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 trends in NiCoCrAl HEAs using a data-driven analysis of high-fidelity experimental oxidation data. The results reveal a clear temperature-dependent transition between alumina- and chromia-dominated protection, identifying the compositional regimes where alloys rich in Al dominate at $\ge1150$ °C, mixed Al-Cr chemistries are optimal at intermediate temperatures, and, unexpectedly, Cr-rich low-Al alloys perform best at 850 °C-challenging the assumption that high Al is universally required. The effects of Hf and Y are shown to be strongly composition-dependent with Hf producing the largest global reduction in oxidation rate, while Y becomes effective primarily in NiCo-lean alloys. Y-Hf co-doping offers consistent improvement but exhibits site-saturation behavior. These insights identify new high-performing HEA bond-coat families, including $\mathrm{Ni_{17}Co_{23}Cr_{30}Al_{30}}$ as a substitute for conventional mutlilayer thermal barrier coatings. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_15517 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Machine-learned accelerated discovery of oxidation-resistant NiCoCrAl high-entropy alloys Boakye, Dennis Deng, Chuang Materials Science 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 trends in NiCoCrAl HEAs using a data-driven analysis of high-fidelity experimental oxidation data. The results reveal a clear temperature-dependent transition between alumina- and chromia-dominated protection, identifying the compositional regimes where alloys rich in Al dominate at $\ge1150$ °C, mixed Al-Cr chemistries are optimal at intermediate temperatures, and, unexpectedly, Cr-rich low-Al alloys perform best at 850 °C-challenging the assumption that high Al is universally required. The effects of Hf and Y are shown to be strongly composition-dependent with Hf producing the largest global reduction in oxidation rate, while Y becomes effective primarily in NiCo-lean alloys. Y-Hf co-doping offers consistent improvement but exhibits site-saturation behavior. These insights identify new high-performing HEA bond-coat families, including $\mathrm{Ni_{17}Co_{23}Cr_{30}Al_{30}}$ as a substitute for conventional mutlilayer thermal barrier coatings. |
| title | Machine-learned accelerated discovery of oxidation-resistant NiCoCrAl high-entropy alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.15517 |