Elastic Deformation in Ceria Nanorods via a Fluorite-to-Rutile Phase Transition
Date
2010-02-28T00:00:00Z
Authors
Supervisor/s
Journal Title
Journal ISSN
Volume Title
Publisher
American Chemical Society
Department
Type
Article
ISSN
1936-0851
Format
Free to read from
Citation
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.
Description
Software Description
Software Language
Github
Keywords
atomistic simulation microstructure molecular dynamics nanoenergy storage stabilized zirconia molecular-dynamics low-temperature nanoparticles nanowires nanotubes strength stress models strain