Computer Simulation of the Equilibrium Morphology of Zirconia Nanocrystals

Abstract:

The paper presents the theoretical calculations of the structure and morphology of ZrO₂ nanocrystals. The equilibrium morphology shapes of tetragonal and cubic nanocrystals were determined. It was shown that the equilibrium morphology was determined by an appropriate set of faces of tetragonal and cubic phases of zirconium oxide.

• Periodical: Solid State Phenomena (Volume 245)
• Pages: 3-7
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.245.3
• Online since: October 2015
• Authors: Andrey N. Chibisov*
• Keywords: First-Principles Calculation, Morphology, Surface Energy, ZrO₂ Nanocrystal

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