Nanoindentation of ZrO2 and ZrO2/Zr systems by molecular dynamics simulation

Zizhe Lu, Aleksandr Chernatynskiy, Mark J. Noordhoek, Susan B. Sinnott, Simon R. Phillpot

Research output: Contribution to journalArticle

7 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)250-266
Number of pages17
JournalJournal of Nuclear Materials
Volume486
DOIs
StatePublished - Apr 1 2017

Fingerprint

Nanoindentation
nanoindentation
zirconium oxides
Zirconia
Molecular dynamics
Zirconium
molecular dynamics
Computer simulation
simulation
Substrates
Loads (forces)
hardness
Hardness
zirconium oxide
mechanical properties
Thin films
Mechanical properties
curves
thin films
interactions

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

Cite this

Lu, Zizhe ; Chernatynskiy, Aleksandr ; Noordhoek, Mark J. ; Sinnott, Susan B. ; Phillpot, Simon R. / Nanoindentation of ZrO2 and ZrO2/Zr systems by molecular dynamics simulation. In: Journal of Nuclear Materials. 2017 ; Vol. 486. pp. 250-266.
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Nanoindentation of ZrO2 and ZrO2/Zr systems by molecular dynamics simulation. / Lu, Zizhe; Chernatynskiy, Aleksandr; Noordhoek, Mark J.; Sinnott, Susan B.; Phillpot, Simon R.

In: Journal of Nuclear Materials, Vol. 486, 01.04.2017, p. 250-266.

Research output: Contribution to journalArticle

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