Title

Nanoindentation of ZrO2 and ZrO2/Zr Systems by Molecular Dynamics Simulation

Abstract

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-O2 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.

Department(s)

Physics

Keywords and Phrases

Deformation; Molecular dynamics; Nanoindentation; Zirconium alloys; Cubic zirconia; Deformation behavior; Deformation process; Interatomic interactions; Load-displacement curve; Many body; Molecular dynamics simulations; Zirconia layer

International Standard Serial Number (ISSN)

0022-3115

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2017 Elsevier B.V., All rights reserved.


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