Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations

Abstract We present results from a stochastic cellular automata (CA) model developed and employed for examining the oxidation kinetics of NiAl and NiAl+Hf alloys. The rules of the CA model are grounded in diffusion probabilities and basic principles of alloy oxidation. Using this approach, we can mo...

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Autores principales:	Indranil Roy, Pratik K. Ray, Ganesh Balasubramanian
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492
Acceso en línea:	https://doaj.org/article/a9e93befa9b2439e877426b45738f81f
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spelling	oai:doaj.org-article:a9e93befa9b2439e877426b45738f81f2021-11-07T12:07:05ZExamining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations10.1038/s41529-021-00202-42397-2106https://doaj.org/article/a9e93befa9b2439e877426b45738f81f2021-11-01T00:00:00Zhttps://doi.org/10.1038/s41529-021-00202-4https://doaj.org/toc/2397-2106Abstract We present results from a stochastic cellular automata (CA) model developed and employed for examining the oxidation kinetics of NiAl and NiAl+Hf alloys. The rules of the CA model are grounded in diffusion probabilities and basic principles of alloy oxidation. Using this approach, we can model the oxide scale thickness and morphology, specific mass change and oxidation kinetics as well as an approximate estimate of the stress and strains in the oxide scale. Furthermore, we also incorporate Hf in the grain boundaries and observe the “reactive element effect”, where doping with Hf results in a drastic reduction in the oxidation kinetics concomitant with the formation of thin, planar oxide scales. Interestingly, although we find that grain boundaries result in rapid oxidation of the undoped NiAl, they result in a slower-growing oxide and a planar oxide/metal interface when doped with Hf.Indranil RoyPratik K. RayGanesh BalasubramanianNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492ENnpj Materials Degradation, Vol 5, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Indranil Roy Pratik K. Ray Ganesh Balasubramanian Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
description	Abstract We present results from a stochastic cellular automata (CA) model developed and employed for examining the oxidation kinetics of NiAl and NiAl+Hf alloys. The rules of the CA model are grounded in diffusion probabilities and basic principles of alloy oxidation. Using this approach, we can model the oxide scale thickness and morphology, specific mass change and oxidation kinetics as well as an approximate estimate of the stress and strains in the oxide scale. Furthermore, we also incorporate Hf in the grain boundaries and observe the “reactive element effect”, where doping with Hf results in a drastic reduction in the oxidation kinetics concomitant with the formation of thin, planar oxide scales. Interestingly, although we find that grain boundaries result in rapid oxidation of the undoped NiAl, they result in a slower-growing oxide and a planar oxide/metal interface when doped with Hf.
format	article
author	Indranil Roy Pratik K. Ray Ganesh Balasubramanian
author_facet	Indranil Roy Pratik K. Ray Ganesh Balasubramanian
author_sort	Indranil Roy
title	Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
title_short	Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
title_full	Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
title_fullStr	Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
title_full_unstemmed	Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations
title_sort	examining oxidation in β-nial and β-nial+hf alloys by stochastic cellular automata simulations
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/a9e93befa9b2439e877426b45738f81f
work_keys_str_mv	AT indranilroy examiningoxidationinbnialandbnialhfalloysbystochasticcellularautomatasimulations AT pratikkray examiningoxidationinbnialandbnialhfalloysbystochasticcellularautomatasimulations AT ganeshbalasubramanian examiningoxidationinbnialandbnialhfalloysbystochasticcellularautomatasimulations
_version_	1718443568056500224

Examining oxidation in β-NiAl and β-NiAl+Hf alloys by stochastic cellular automata simulations

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