QUANTUM MECHANICAL CALCULATIONS OF ELASTIC PROPERTIES OF DOPED TETRAGONAL YTTRIA-STABILIZED ZIRCONIUM DIOXIDE

Authors

  • Yuriy Natanzon Polish Academy of Sciences
  • Zbigniew Łodziana Polish Academy of Sciences

DOI:

https://doi.org/10.7494/csci.2008.9.3.87

Keywords:

Y-stabilized zirconia, superplasticity, net charge, ab initio calculations

Abstract

We report first principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants affects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This effect contributes to the increase of superplasticityof doped material.

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Author Biographies

Yuriy Natanzon, Polish Academy of Sciences

Henryk Niewodniczański Institute of Nuclear Physics

Zbigniew Łodziana, Polish Academy of Sciences

Henryk Niewodniczański Institute of Nuclear Physics

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Published

2013-04-20

How to Cite

Natanzon, Y., & Łodziana, Z. (2013). QUANTUM MECHANICAL CALCULATIONS OF ELASTIC PROPERTIES OF DOPED TETRAGONAL YTTRIA-STABILIZED ZIRCONIUM DIOXIDE. Computer Science, 9(3), 87. https://doi.org/10.7494/csci.2008.9.3.87

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