First principles lattice dynamics calculations to thermodynamical parameters of ZrO2 at finite temperatures

Preprints of Annual Meeting of The Ceramic Society of Japan
Preprints of Fall Meeting of The Ceramic Society of Japan

18th Fall Meeting of The Ceramic Society of Japan & 1st Asia-Oceania Ceramic Federation (AOCF) Conference

Session ID : 3M02

DOI https://doi.org/10.14853/pcersj.2005F.0.544.0

Conference information

Host: The Ceramic Society of Japan

First principles lattice dynamics calculations to thermodynamical parameters of ZrO2 at finite temperatures

*Akihide Kuwabara, Tetsuya Tohei, Tomoyuki Yamamoto, Fumiyasu Oba, Isao Tanaka

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Keywords: first principles calculation, zirconia, phase transformation, lattice dynamics, phonon

CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract

[in Japanese]

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© The Ceramic Society of Japan 2005

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