Elastic deformation in ceria nanorods via a fluorite-to-rutile phase transition

Abstract

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.