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Elastic Deformation in Ceria Nanorods via a Fluorite-to-Rutile Phase Transition

By T.X.T. Sayle and D.C. Sayle


Atomistic simulations reveal that ceria nanorods, under uniaxial tension, can accommodate over 6% elastic deformation. Moreover, a reversible fluorite-to- rutile phase change occurs above 6% strain for a ceria nanorod that extends along [110]. We also observe that during unloading the stress increases with decreasing strain as the rutile reverts back to fluorite. Ceria nanorods may find possible application as vehicles for elastic energy storage

Topics: atomistic simulation microstructure molecular dynamics nanoenergy storage stabilized zirconia molecular-dynamics low-temperature nanoparticles nanowires nanotubes strength stress models strain
Publisher: American Chemical Society
Year: 2010
DOI identifier: 10.1021/nn901612s
OAI identifier:
Provided by: Cranfield CERES

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