Effect of cascade overlap and C15 clusters on the damage evolution in Fe: An OKMC study

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Title: Effect of cascade overlap and C15 clusters on the damage evolution in Fe: An OKMC study
Authors: Esfandiarpour, Amin | Byggmästar, Jesper | Balbuena, Juan Pablo | Caturla, Maria J. | Nordlund, Kai | Granberg, Fredric
Research Group/s: Física de la Materia Condensada | Grupo de Nanofísica
Center, Department or Service: Universidad de Alicante. Departamento de Física Aplicada
Keywords: Cascade overlap | Object kinetic Monte Carlo | Radiation damage | Iron | C15 clusters
Knowledge Area: Física Aplicada
Issue Date: 24-Jan-2022
Publisher: Elsevier
Citation: Materialia. 2022, 21: 101344. https://doi.org/10.1016/j.mtla.2022.101344
Abstract: In order to investigate the long-term evolution of radiation-induced defects in the fission- and fusion-relevant material iron, we introduce cascade overlap effects into Object Kinetic Monte Carlo simulations. In addition to cascade overlap, we study the effect of introducing discrete C15 Laves phase clusters into the simulations. By applying either, none, or both of these effects we identify how they influence the evolution of the system. We find that both cascade overlap and C15 clusters affect the evolution of the radiation damage in different ways and on different time scales. Cascade overlap is found to reduce the number of Frenkel pairs. On the other hand, the explicit consideration of C15 Laves phase clusters increases the accumulation of defects at low dose. The results are compared to Molecular Dynamics simulation results under similar conditions.
Sponsor: This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 and 2019–2020 under grant agreement no. 633053.
URI: http://hdl.handle.net/10045/121542
ISSN: 2589-1529 (Print) | 2214-2134 (Online)
DOI: 10.1016/j.mtla.2022.101344
Language: eng
Type: info:eu-repo/semantics/article
Rights: © 2022 Acta Materialia Inc. Published by Elsevier B.V.
Peer Review: si
Publisher version: https://doi.org/10.1016/j.mtla.2022.101344
Appears in Collections:INV - Física de la Materia Condensada - Artículos de Revistas
INV - Grupo de Nanofísica - Artículos de Revistas

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