About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
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High Entropy Materials: Concentrated Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond III
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Presentation Title |
E-12: Exploration of High-ductility Ternary Refractory High-entropy Alloys Using First-principle Calculations and Machine Learning |
Author(s) |
Hyo-Sun Jang, Jin-Woong Lee, Kee-Sun Sohn, Jiwon Park, Chang-Seok Oh |
On-Site Speaker (Planned) |
Hyo-Sun Jang |
Abstract Scope |
Refractory bcc high-entropy alloys are in the spotlight as high-temperature materials due to their high strength at high temperatures but show poor ductility at room temperature. To improve the poor ductility, we utilized Pugh's shear-to-bulk modulus ratio, which is widely adopted to distinguish the ductility and brittleness of metals. In this study, the Pugh's ratio was investigated for the ternary refractory high-entropy alloy systems, as a first step toward exploring new high-ductility refractory high-entropy alloys. We first calculated elastic constants of various alloy systems and compositions using first-principles calculations based on the exact muffin-tin orbitals method combined with the coherent potential approximation. Using the calculated data, machine learning methods including neural networks and genetic algorithms were used to explore the optimum alloy with the highest Pugh's ratio. |