Journal
JOURNAL OF NUCLEAR MATERIALS
Volume 486, Issue -, Pages 250-266Publisher
ELSEVIER
DOI: 10.1016/j.jnucmat.2017.01.022
Keywords
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Funding
- DOE NEUP [12-4728]
- National Science Foundation [DMR-1207293]
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The deformation behaviors of cubic zirconia and a cubic zirconia thin film on top of an hcp zirconium substrate are investigated using molecular dynamics nanoindentation simulation. Interatomic interactions are described by the previously developed Charge Optimized Many Body (COMB) potential for the Zr-ZrO2-O-2 system. The load-displacement curves, deformation processes and hardnesses of zirconia and the zirconia/zirconium systems are characterized. In addition, by comparing with a previous nanoindentation simulation on zirconium, the effects of the zirconia layer on top on the mechanical properties of the zirconium substrate are determined.(C) 2017 Elsevier B.V. All rights reserved.
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