Tan, L., Ali, K., Ghosh, P.S. et al. (7 more authors) (2022) Design principles of low-activation high entropy alloys. Journal of Alloys and Compounds, 907. 164526. ISSN 0925-8388
Abstract
The present study combines density functional theory (DFT) based calculations and experimental techniques to investigate the formation of equiatomic quaternary “low-activation" high entropy alloys (HEAs) for nuclear fission/fusion applications. DFT based techniques are adopted to screen the formation of possible single-phase ternary and quaternary alloys in chemical space consisting of the low-activation elements (Ti, V, Cr, Mn, Fe, Ta and W). The results indicate that TaTiVW and CrFeMnV can be formed in a single body centred cubic phase (BCC). Based on the DFT based screening, HEAs are fabricated by a vacuum arc melting process. Further characterisation by X-ray diffraction, energy dispersive X-Ray analysis, X-ray fluorescence and scanning electron microscopy confirms the formation of TaTiVW in a BCC single phase. Microstructures of CrTiVW and CrTaVW in as-cast conditions, consist of two BCC phases with very similar lattice parameters. CrTaTiW and CrTaTiV showed evidence of C15 Laves formation comprising of TaCr2 and TiV2, respectively.
Metadata
Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2022 Elsevier B.V. | ||||||
Keywords: | Design principles; Low-activation; High entropy alloys; Density functional theory; Single phase prediction; Equiatomic ternary and quaternary alloys; Vacuum arc melting; Structure determination | ||||||
Dates: |
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Institution: | The University of Sheffield | ||||||
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield) | ||||||
Funding Information: |
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Depositing User: | Symplectic Sheffield | ||||||
Date Deposited: | 18 Mar 2022 15:57 | ||||||
Last Modified: | 18 Mar 2022 15:57 | ||||||
Status: | Published | ||||||
Publisher: | Elsevier BV | ||||||
Refereed: | Yes | ||||||
Identification Number: | https://doi.org/10.1016/j.jallcom.2022.164526 |