Affiliation:
1. Dalian University of Technology
2. Chinese Academy of Sciences
3. National Institute for Materials Science
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.
Publisher
Trans Tech Publications, Ltd.
Cited by
4 articles.
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