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Supplementary information files for Design principles of low-activation high entropy alloys
dataset
posted on 2022-03-15, 12:31 authored by Liangzhi Tan, Kawsar Ali, Partha Sarathi Ghosh, Ashok Arya, Ying Zhou, Roger Smith, Pooja GoddardPooja Goddard, Dhinisa Patel, Hamed Shahmir, Amy GandySupplementary files for article Design principles of low-activation high entropy alloys.
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.
Funding
India - UK Civil Nuclear Collaboration: Development of Radiation Damage Resistant High Entropy Alloys for Advanced Nuclear Systems
Engineering and Physical Sciences Research Council
Find out more...India - UK Civil Nuclear Collaboration: Development of Radiation Damage Resistant High Entropy Alloys for Advanced Nuclear Systems
Engineering and Physical Sciences Research Council
Find out more...Modelling radiation resistant low activation High Entropy Alloys
Engineering and Physical Sciences Research Council
Find out more...Royal Academy of Engineering under the Leverhulme Trust, UK Research Fellowships scheme
History
School
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Department
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- Mathematical Sciences