About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Environmental Degradation of Multiple Principal Component Materials
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| Presentation Title |
Experimental measurement and theoretical assessment of oxidation behavior of dual-phase CoCrNiCu0.5 alloy. |
| Author(s) |
Subham Das, Nulli Krishna Chaitanya, Gajendra Patel, Mayur Vaidya, Shelaka Gupta |
| On-Site Speaker (Planned) |
Subham Das |
| Abstract Scope |
The effect of alloying addition on the phase formation and high temperature behavior in the multi component alloys (MCAs) has been very limited. The effect of secondary phase on the oxidation behavior isn’t very well understood. In this study a combined experimental and theoretical approach is used to elucidate different phase behavior in the CoCrNiCu0.5 alloy upon exposure to oxygen. The alloy contains Cu-rich FCC phase and Cu-lean FCC phase which forms hills of CuO, thin layer of Cr2O3 and internal oxidation of Cr2O3 in Cu-rich phase. Employing DFT and DFT-driven Molecular Dynamics (AIMD) on both the phases it showed that oxygen adsorption was preferable on Cr containing sites followed by Co, Ni and Cu. AIMD simulations also showed the outward movement of Cr atom and preferable O adsorption on the Cr containing sites in both the phases. A kinetic perspective is required to understand the outward formation of CuO. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Environmental Effects, High-Entropy Alloys, Modeling and Simulation |