Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Martins, Ricardo; Gonçalves, António Pereira; Correia, José Brito; Galatanu, Andrei; Alves, Eduardo; Tejado, Elena; Pastor, José Ygnacio; Dias, Marta

doi:10.3390/met14040436

Title: Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Journal Article · 07 April 2024 · Metals

DOI: https://doi.org/10.3390/met14040436 · OSTI ID:2335535

;

; Alves, Eduardo;

;

; Dias, Marta

Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material’s thermal conductivity and specific heat are almost constant from 25 °C to 1000 °C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 °C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.

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Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office

OSTI ID:: 2335535

Journal Information:: Metals, Journal Name: Metals Journal Issue: 4 Vol. 14; ISSN 2075-4701; ISSN MBSEC7

Publisher:: MDPI AGCopyright Statement

Country of Publication:: Switzerland

Language:: English

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