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Journal Articles Materialia Year : 2023

Plastic deformations of ceria nanocubes under compression: An atomistic simulations study

Abstract

The mechanical properties and elementary deformation processes of ceria nanoparticles are investigated under uniaxial compression using quasi-static atomistic simulations and a fixed charge empirical potential. Results show a strong size-dependence of both the stress response and the plastic deformation phenomena that are characterized by amorphization and recrystallization processes that initiate from the surfaces in smaller-size samples, while the the propagation of {111} nanotwins is observed in larger nanoparticles. In particular, we point out that the recrystallized phase is made of reoriented fluorite that behaves as a structural seed for the nucleation of 1/6<112> {111} partial dislocations at the origin of the nanotwins. Similarities with plastic deformation processes of FCC metals at the nanoscale are outlined and discussed.
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Dates and versions

hal-04151934 , version 1 (05-07-2023)

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Gaétan Laurens, Jonathan Amodeo, Tristan Albaret. Plastic deformations of ceria nanocubes under compression: An atomistic simulations study. Materialia, 2023, 30, pp.101824. ⟨10.1016/j.mtla.2023.101824⟩. ⟨hal-04151934⟩
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