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
Abstract
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People |
ORCID iD |
| Roger Smith (Principal Investigator) |
Publications
Tan L
(2022)
Design principles of low-activation high entropy alloys
in Journal of Alloys and Compounds
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 | 05/2019 |
| End | 05/2022 |
| 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 |
| URL | https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Design_principle... |
| 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 |
| URL | https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Design_principle... |
| 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 |