Formation of Y[subscript 2]O[subscript 3] nanoclusters in nanostructured ferritic alloys during isothermal and anisothermal heat treatment: A kinetic Monte Carlo study
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Hin-2009-Formation of Y2O3.pdf
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Author(s)
Hin, Celine Nathalie
Neaton, J. B.
Wirth, B. D.
Date Issued
October 2009
Journal
Physical Review B
Publisher
American Physical Society
Citation
Hin, C., B. D. Wirth, and J. B. Neaton. “Formation of Y2 O3 nanoclusters in nanostructured ferritic alloys during isothermal and anisothermal heat treatment: A kinetic Monte Carlo study.” Physical Review B 80.13 (2009): 134118. © 2009 The American Physical Society
Version
Final published version
Abstract
Kinetic Monte Carlo simulations, based on parameters obtained with density-functional theory in the local-density approximation and experimental data, are used to study bulk precipitation of Y[subscript 2]O[subscript 3] in α iron. The simulation involves realistic diffusion mechanisms, with a rapid diffusion of O atoms by interstitial jumps and a slower diffusion of Fe and Y atoms by vacancy jumps, and a point defect source which drives the vacancy concentration toward its equilibrium value, during isothermal and anisothermal heat treatments. Depending on alloy and thermal history conditions, the Monte Carlo simulations predict different kinetic behavior, including transient precipitation of metastable iron oxides followed by precipitation of Y[subscript 2]O[subscript 3] nanoclusters.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
http://dx.doi.org/10.1103/PhysRevB.80.134118
