Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy
Abstract
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.more »
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office
- OSTI Identifier:
- 2335535
- Grant/Contract Number:
- UIDB/50010/2020; UIDP/50010/2020; LA/P/0061/2020
- Resource Type:
- Published Article
- Journal Name:
- Metals
- Additional Journal Information:
- Journal Name: Metals Journal Volume: 14 Journal Issue: 4; Journal ID: ISSN 2075-4701
- Publisher:
- MDPI AG
- Country of Publication:
- Switzerland
- Language:
- English
Citation Formats
Martins, Ricardo, Gonçalves, António Pereira, Correia, José Brito, Galatanu, Andrei, Alves, Eduardo, Tejado, Elena, Pastor, José Ygnacio, and Dias, Marta. Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy. Switzerland: N. p., 2024.
Web. doi:10.3390/met14040436.
Martins, Ricardo, Gonçalves, António Pereira, Correia, José Brito, Galatanu, Andrei, Alves, Eduardo, Tejado, Elena, Pastor, José Ygnacio, & Dias, Marta. Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy. Switzerland. https://doi.org/10.3390/met14040436
Martins, Ricardo, Gonçalves, António Pereira, Correia, José Brito, Galatanu, Andrei, Alves, Eduardo, Tejado, Elena, Pastor, José Ygnacio, and Dias, Marta. Mon .
"Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy". Switzerland. https://doi.org/10.3390/met14040436.
@article{osti_2335535,
title = {Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy},
author = {Martins, Ricardo and Gonçalves, António Pereira and Correia, José Brito and Galatanu, Andrei and Alves, Eduardo and Tejado, Elena and Pastor, José Ygnacio and Dias, Marta},
abstractNote = {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.},
doi = {10.3390/met14040436},
journal = {Metals},
number = 4,
volume = 14,
place = {Switzerland},
year = {Mon Apr 08 00:00:00 EDT 2024},
month = {Mon Apr 08 00:00:00 EDT 2024}
}
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