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Trans Tech Publications, Applied Mechanics and Materials, (492), p. 239-247, 2014

DOI: 10.4028/www.scientific.net/amm.492.239

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An Assessment of Interatomic Potentials for Yittria-Stablized Zirconia

Journal article published in 2014 by Chao Yin, Fei Ye, Chun Yu Yin, Yu Chun, Rong Ding, Ding Rong Ou, Toshiyuki Mori ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Six interatomic potentials based on Buckingham potential form for yttria-stablized zirconia have been critically assessed by predicting lattice constants, dielectric constants, and elastic properties using the mean-field approach. The content of Y2O3is set to the range from 8 to 24 mol%. It has been found out that no potential can reproduce all the fundamental properties. Taking all the simulation and comparison results into consideration, the potential of Butler (1981) displays the highest fidelity, and the potential of Lewis (1985) shows the widest range of applicability.