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Journal Articles Modelling and Simulation in Materials Science and Engineering Year : 2022

Object kinetic Monte Carlo modelling of irradiation microstructures with elastic interactions

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Abstract

Elastic interactions between point defects and sinks, such as dislocations and cavities, affect the diffusion of point defects and are responsible for some of the features observed in microstructures under irradiation. It is therefore necessary to include elastic interactions in kinetic simulations for a quantitative prediction of material properties. In this work a method is presented to accurately and efficiently evaluate the strain field in object kinetic Monte Carlo simulations. It can handle any strain field which is biharmonic, such as the one generated by a dislocation segment or a cavity in isotropic elasticity. A speed-up of several orders of magnitude is obtained compared to the direct summation over strain sources, so that simulations over experimental time scales can be performed within reasonable computation times. The case of a thin foil containing a high density of loops under irradiation is investigated. Loop growth rates are found to depend on the loop radius, as shown experimentally, but more complex effects due to the surrounding microstructure are also highlighted.
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cea-03885836 , version 1 (06-12-2022)

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Thomas Jourdan. Object kinetic Monte Carlo modelling of irradiation microstructures with elastic interactions. Modelling and Simulation in Materials Science and Engineering, 2022, 30 (8), pp.085013. ⟨10.1088/1361-651X/ac9d57⟩. ⟨cea-03885836⟩
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