Defect behaviour in the MoNbTaVW high entropy alloy (HEA)

The intrinsic defect formation in the MoNbTaVW HEA is investigated using atomic scale modelling, the goal being to assess its response to radiation damage in its possible use as plasma facing material for fusion reactors. When interstitial defects were modelled, a strong preference to form split int...

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Main Authors: A.X. Lin-Vines, J.A. Wilson, A. Fraile, Lee J. Evitts, M.J.D. Rushton, J.O. Astbury, W.E. Lee, S.C. Middleburgh
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Results in Materials
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2590048X22000681
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author A.X. Lin-Vines
J.A. Wilson
A. Fraile
Lee J. Evitts
M.J.D. Rushton
J.O. Astbury
W.E. Lee
S.C. Middleburgh
author_facet A.X. Lin-Vines
J.A. Wilson
A. Fraile
Lee J. Evitts
M.J.D. Rushton
J.O. Astbury
W.E. Lee
S.C. Middleburgh
author_sort A.X. Lin-Vines
collection DOAJ
description The intrinsic defect formation in the MoNbTaVW HEA is investigated using atomic scale modelling, the goal being to assess its response to radiation damage in its possible use as plasma facing material for fusion reactors. When interstitial defects were modelled, a strong preference to form split interstitial defects containing vanadium was observed, even forming when other interstitial elements were initially placed into the structure. Vacancies and Frenkel pair formation are also modelled and discussed. The distinct behaviour of defects in this HEA has implications for this system as well as related HEAs and their use in nuclear components.
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spelling doaj.art-f27248b21f2c4c33b3cbb1ca17113a5c2022-12-22T03:47:02ZengElsevierResults in Materials2590-048X2022-09-0115100320Defect behaviour in the MoNbTaVW high entropy alloy (HEA)A.X. Lin-Vines0J.A. Wilson1A. Fraile2Lee J. Evitts3M.J.D. Rushton4J.O. Astbury5W.E. Lee6S.C. Middleburgh7Nuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomTokamak Energy Ltd, 173 Brook Drive, Milton Park, Oxfordshire, OX14 4SD, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United KingdomNuclear Futures Institute, Bangor University, Dean Street, Bangor, LL57 2DG, United Kingdom; Corresponding author.The intrinsic defect formation in the MoNbTaVW HEA is investigated using atomic scale modelling, the goal being to assess its response to radiation damage in its possible use as plasma facing material for fusion reactors. When interstitial defects were modelled, a strong preference to form split interstitial defects containing vanadium was observed, even forming when other interstitial elements were initially placed into the structure. Vacancies and Frenkel pair formation are also modelled and discussed. The distinct behaviour of defects in this HEA has implications for this system as well as related HEAs and their use in nuclear components.http://www.sciencedirect.com/science/article/pii/S2590048X22000681High entropy alloyDefect behaviourAtomistic modellingRadiation damageDefect formation
spellingShingle A.X. Lin-Vines
J.A. Wilson
A. Fraile
Lee J. Evitts
M.J.D. Rushton
J.O. Astbury
W.E. Lee
S.C. Middleburgh
Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
Results in Materials
High entropy alloy
Defect behaviour
Atomistic modelling
Radiation damage
Defect formation
title Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
title_full Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
title_fullStr Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
title_full_unstemmed Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
title_short Defect behaviour in the MoNbTaVW high entropy alloy (HEA)
title_sort defect behaviour in the monbtavw high entropy alloy hea
topic High entropy alloy
Defect behaviour
Atomistic modelling
Radiation damage
Defect formation
url http://www.sciencedirect.com/science/article/pii/S2590048X22000681
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