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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Advances in Bcc-Superalloys
Presentation Title Semi-ordered B2 phase in a high entropy refractory Nb-Ti-Zr-Al-V alloy
Author(s) Marcelo Falcćo de Oliveira, Joćo Henrique Mazo, Carolina Soares, Juarez Lopes Ferreira Da Silva
On-Site Speaker (Planned) Marcelo Falcćo de Oliveira
Abstract Scope In this work, we report on the formation of a semi-ordered B2 phase in a Nb-Ti-Zr-Al-V alloy produced by suction casting in water-cooled copper molds, resulting in rods of 5 mm in diameter. The alloy was characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Compression tests to determine the elastic constants, were performed using digital image correlation (DIC). These tests also verified the alloy's plasticity and fracture behavior. To gain further insight into the alloy's structure, DFT calculations were conducted using the Vienna Ab initio Simulation Package (VASP) on several supercells representing different chemical environments. The final results show that the B2 phase is somewhat disordered; the (0,0,0) site is primarily occupied by a specific group of atoms, while the (1/2,1/2,1/2) site is occupied by the remaining atoms. The calculated elastic constants of this structure agree well with the experimental results.
Proceedings Inclusion? Planned:
Keywords High-Entropy Alloys, High-Temperature Materials, Mechanical Properties

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Recent improvements in BCC-based alloy prediction capabilities in Thermo-Calc software and databases
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