About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
NOW ON-DEMAND ONLY – Role of Alloying on Tunability of Martensitic Phase Transformation in Multi-principal Element Alloys |
Author(s) |
Prashant Singh, Sezer Picak, Aayush Sharma, A.V. Smirnov, Y.I. Chumlyakov, Raymundo Arroyave, Ibrahim Karaman, Duane D. Johnson |
On-Site Speaker (Planned) |
Prashant Singh |
Abstract Scope |
Multi-principal element alloys (MPEAs) are an intriguing class of materials where chemical disorder can control structure and property relations. Employing density-functional theory methods, we tune thermodynamic stability between f.c.c. and h.c.p. phases in Fe-Mn-Co-Cr-based MPEAs and correlate the free-energy difference and stacking-fault energy directly with martensitic transformation and chemical short-range order. The predicted transformation in FexMn80-xCo10Cr10 at x=40at.% was supported by large-scale molecular dynamic simulations and confirmed by precision experiments. These results provide direct understanding of transformation-induced/twinning-induced plasticity (TRIP/TWIP) in this MPEA. Our approach establishes quantitative theory-guided design for the next-generation alloys with superior structure-property relations and provides unique insights for controlling transformation at the electronic level in technologically relevant alloys. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, High-Entropy Alloys, Phase Transformations |