India - UK Civil Nuclear Collaboration: Development of Radiation Damage Resistant High Entropy Alloys for Advanced Nuclear Systems

Lead Research Organisation: Loughborough University
Department Name: Mathematical Sciences


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Tan L (2022) Design principles of low-activation high entropy alloys in Journal of Alloys and Compounds

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Tan, L. (2022) Design Principles of low-activation High Entropy Alloys in Journal of Alloys and Compounds

Description Mechanical and structural properties of some candidate materials for use as High Entropy Alloys for nuclear applications have been calculated. The mechanical properties are currently being measured by Oxford University who are collaborators on the project.
Modelling has enabled the prediction of which quaternary alloys are likely to be single phase. These alloys have been made in the lab. by collaborators on the project. The work is currently being reviewed with a joint article for the Journal of alloys and compounds.
Exploitation Route The proposed optimum alloys could be made in bulk for nuclear applications
Sectors Energy

Description Modelling radiation resistant low activation High Entropy Alloys
Amount £337,694 (GBP)
Funding ID EP/S032819/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 12/2019 
End 05/2023
Title Supplementary information files for Design principles of low-activation high entropy alloys 
Description Supplementary 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. 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
Description BARC 
Organisation Bhabbha Atomic Research Centre
Country India 
Sector Public 
PI Contribution Organising a workshop in India in 2015
Collaborator Contribution An Indian visitor carried out Raman and other experiments at Loughborough and in Sheffield
Impact A join paper is has been written but not yet submitted
Start Year 2014
Description IGCAR 
Organisation Indira Gandhi Centre for Atomic Research (IGCAR)
Country India 
Sector Academic/University 
PI Contribution I obtained support for experiments at DIAMOND and instructed visitors from India in the art of atomistic computer simulation methods.
Collaborator Contribution They performed experiments at DIAMOND and produced results from simulation of iron phosphate glass
Impact This is multidisciplinary involving chemistry, computing ad physics. Joint papers have been published and a joint workshop organised.
Start Year 2014
Description techniques for determining high temperature properties of high entropy alloys 
Organisation Daresbury Laboratory
Country United Kingdom 
Sector Private 
PI Contribution This is an EPSRC grant part of which is held by Andrew Duff at STFC Daresbury. The PDRA at Loughborough is performing the calculations using techniques developed by Duff to calculate thermal properties of high entropy alloys
Collaborator Contribution We have regular meetings about the application of the TU-tild technique.
Impact None as yet
Start Year 2019
Description Models of Radiation Damage 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Postgraduate students
Results and Impact Conference at BARC in India and presentation to India Metals Society (Mumbai branch)
Year(s) Of Engagement Activity 2019