About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
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AI/Data Informatics: Computational Model Development, Verification, Validation, and Uncertainty Quantification
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Presentation Title |
First-Principles Database of Multi-Principal Element Alloys for High-Performance Structural Applications |
Author(s) |
Abu Anand, Szu-Jia Liu, Chandraveer Singh |
On-Site Speaker (Planned) |
Chandraveer Singh |
Abstract Scope |
Multi-principal element alloys (MPEAs) are gaining popularity as materials for high-performance structural applications. Although there has been significant research on exploring the large compositional spaces of MPEAs, adopting high-throughput calculations is seen as an effective design approach. In this study, we have developed a comprehensive first-principles structural database of MPEAs that includes information on phase stability, structural stability, and mechanical properties. We have employed various data analysis techniques to investigate the underlying mechanisms that govern the mechanical properties of MPEAs. The database is used to explore structure-property relationships of MPEA systems. The results of this study provide fundamental insights into the mechanical behaviour of MPEAs, which can aid in the design and development of advanced structural materials for various applications. Moreover, the approach presented in this study can be extended to other complex materials, including other high-entropy systems, to understand their mechanical behaviour. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, ICME |