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

被引：0

作者：

Natanzon, Yuriy ^{[1
]}

Lodziana, Zbigniew ^{[1
]}

机构：

[1] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland

来源：

COMPUTER SCIENCE-AGH | 2008年 / 9卷

关键词：

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

D O I：

暂无

中图分类号：

TP301 [理论、方法];

学科分类号：

081202 ;

摘要：

We report first principles calculations of the electronic and elastic properties of yttria-stabilized 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 properties of ZrO2, which is driven by the attraction of electron density by dopant atom and creation of stronger dopant-oxygen bonds. This effect contributes to the increase of superplasticity of doped material.

引用

页码：87 / 107

页数：21

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