A variable-gap model for helium bubbles in nickel

In nuclear fission reactors, the amount of helium produced in materials by transmutation reactions at the end of the lifetime may reach several thousands of atomic parts per million (appm). Such high levels of helium production can impact the evolution of microstructures, particularly by forming hel...

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Bibliographic Details
Published inComputational materials science Vol. 202; p. 110921
Main Authors Fokt, M., Adjanor, G., Jourdan, T.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.02.2022
Elsevier
Subjects
Binding energy
Bubbles
Condensed Matter
Helium
Materials Science
Nickel
Physics
Bubbles
Nickel
Helium
Binding energy
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Summary:In nuclear fission reactors, the amount of helium produced in materials by transmutation reactions at the end of the lifetime may reach several thousands of atomic parts per million (appm). Such high levels of helium production can impact the evolution of microstructures, particularly by forming helium bubbles. To better understand the role of helium on the stability of bubbles, a “variable-gap model” was parametrized with molecular dynamics (MD) calculations performed in nickel. This model predicts binding energies in a good agreement with MD values, especially for large bubbles. For very small bubbles, the influence of magic number sizes and faceting is more complex than can be described with the model. For these cases, it is proposed to use MD values directly. [Display omitted] •State of the art model for binding energies of He bubbles in Ni and Ni-based alloys.•Predictions are in good agreement with MD values, especially for large bubbles.•For small bubbles, a strong influence of faceting and magic number sizes is observed.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2021.110921