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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Recent Investigations and Developments of Titanium-containing High Entropy Alloys
Presentation Title Phase Stability and the Role of Ti in W-Ta-Ti-Cr-V High-entropy Alloys from the First Principles Thermodynamic Study with Experimental Validation
Author(s) Damian Sobieraj, Jan S. Wrobel, Tomasz Rygier, Grzegorz Cieslak, Magdalena Plocinska, Krzysztof Kurzydlowski, Duc Nguyen-Manh
On-Site Speaker (Planned) Damian Sobieraj
Abstract Scope The combination of Density Functional Theory (DFT), Cluster Expansion (CE) and Monte Carlo (MC) simulations has been used to analyze the phase stability, short-range ordering (SRO) and the role of Ti in quaternary and quinary high-entropy alloys in the W-Ta-Ti-Cr-V system. Experimental verification has been performed on samples prepared by arc-melting with the use of light microscopy, SEM-EDS and x-ray diffraction. All samples were also annealed for 96 hours at over 1400K. MC simulations revealed that increasing the Ti concentration significantly decreases the order-disorder transition temperature (ODTT) from 1300K for equiatomic WTaCrV alloy down to 300K for Ti50(WTaCrV)50 alloy. Among equiatomic compositions, the lowest ODTT has been observed for WTaTiCr and WTaTiV alloys, which means that removing either Cr or V from the system significantly decreases the ODTT. Ordering observed in our experimentally synthesized samples is in general agreement with obtained modelling data.
Proceedings Inclusion? Planned: None Selected
Keywords High-Entropy Alloys, Modeling and Simulation, Phase Transformations


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