Evidence of hydrogen trapping at second phase particles in zirconium alloys

Abstract Zirconium alloys are used in safety–critical roles in the nuclear industry and their degradation due to ingress of hydrogen in service is a concern. In this work experimental evidence, supported by density functional theory modelling, shows that the α-Zr matrix surrounding second phase part...

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Autores principales:	Christopher Jones, Vidur Tuli, Zaheen Shah, Mhairi Gass, Patrick A. Burr, Michael Preuss, Katie L. Moore
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ec2a0a9f6b8e498e89f93b33382fc1b6
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spelling	oai:doaj.org-article:ec2a0a9f6b8e498e89f93b33382fc1b62021-12-02T16:23:14ZEvidence of hydrogen trapping at second phase particles in zirconium alloys10.1038/s41598-021-83859-w2045-2322https://doaj.org/article/ec2a0a9f6b8e498e89f93b33382fc1b62021-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-83859-whttps://doaj.org/toc/2045-2322Abstract Zirconium alloys are used in safety–critical roles in the nuclear industry and their degradation due to ingress of hydrogen in service is a concern. In this work experimental evidence, supported by density functional theory modelling, shows that the α-Zr matrix surrounding second phase particles acts as a trapping site for hydrogen, which has not been previously reported in zirconium. This is unaccounted for in current models of hydrogen behaviour in Zr alloys and as such could impact development of these models. Zircaloy-2 and Zircaloy-4 samples were corroded at 350 °C in simulated pressurised water reactor coolant before being isotopically spiked with 2H2O in a second autoclave step. The distribution of 2H, Fe and Cr was characterised using nanoscale secondary ion mass spectrometry (NanoSIMS) and high-resolution energy dispersive X-ray spectroscopy. 2H− was found to be concentrated around second phase particles in the α-Zr lattice with peak hydrogen isotope ratios of 2H/1H = 0.018–0.082. DFT modelling confirms that the hydrogen thermodynamically favours sitting in the surrounding zirconium matrix rather than within the second phase particles. Knowledge of this trapping mechanism will inform the development of current understanding of zirconium alloy degradation through-life.Christopher JonesVidur TuliZaheen ShahMhairi GassPatrick A. BurrMichael PreussKatie L. MooreNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Christopher Jones Vidur Tuli Zaheen Shah Mhairi Gass Patrick A. Burr Michael Preuss Katie L. Moore Evidence of hydrogen trapping at second phase particles in zirconium alloys
description	Abstract Zirconium alloys are used in safety–critical roles in the nuclear industry and their degradation due to ingress of hydrogen in service is a concern. In this work experimental evidence, supported by density functional theory modelling, shows that the α-Zr matrix surrounding second phase particles acts as a trapping site for hydrogen, which has not been previously reported in zirconium. This is unaccounted for in current models of hydrogen behaviour in Zr alloys and as such could impact development of these models. Zircaloy-2 and Zircaloy-4 samples were corroded at 350 °C in simulated pressurised water reactor coolant before being isotopically spiked with 2H2O in a second autoclave step. The distribution of 2H, Fe and Cr was characterised using nanoscale secondary ion mass spectrometry (NanoSIMS) and high-resolution energy dispersive X-ray spectroscopy. 2H− was found to be concentrated around second phase particles in the α-Zr lattice with peak hydrogen isotope ratios of 2H/1H = 0.018–0.082. DFT modelling confirms that the hydrogen thermodynamically favours sitting in the surrounding zirconium matrix rather than within the second phase particles. Knowledge of this trapping mechanism will inform the development of current understanding of zirconium alloy degradation through-life.
format	article
author	Christopher Jones Vidur Tuli Zaheen Shah Mhairi Gass Patrick A. Burr Michael Preuss Katie L. Moore
author_facet	Christopher Jones Vidur Tuli Zaheen Shah Mhairi Gass Patrick A. Burr Michael Preuss Katie L. Moore
author_sort	Christopher Jones
title	Evidence of hydrogen trapping at second phase particles in zirconium alloys
title_short	Evidence of hydrogen trapping at second phase particles in zirconium alloys
title_full	Evidence of hydrogen trapping at second phase particles in zirconium alloys
title_fullStr	Evidence of hydrogen trapping at second phase particles in zirconium alloys
title_full_unstemmed	Evidence of hydrogen trapping at second phase particles in zirconium alloys
title_sort	evidence of hydrogen trapping at second phase particles in zirconium alloys
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ec2a0a9f6b8e498e89f93b33382fc1b6
work_keys_str_mv	AT christopherjones evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT vidurtuli evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT zaheenshah evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT mhairigass evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT patrickaburr evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT michaelpreuss evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys AT katielmoore evidenceofhydrogentrappingatsecondphaseparticlesinzirconiumalloys
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Evidence of hydrogen trapping at second phase particles in zirconium alloys

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