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Solute Atom Segregation to Yttria-Stabilized Cubic Zirconia Grain Boundaries

Published online by Cambridge University Press:  02 July 2020

E.C. Dickey
Affiliation:
Dept. of Chemical and Materials Engineering, University of Kentucky, Lexington, KY40506
X. Fan
Affiliation:
Dept. of Chemical and Materials Engineering, University of Kentucky, Lexington, KY40506 Solid State Division, Oak Ridge National Laboratory, Oak Ridge, TN37831
S.J. Pennycook
Affiliation:
Dept. of Chemical and Materials Engineering, University of Kentucky, Lexington, KY40506
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Grain boundaries in yttria-stabilized cubic zirconia (YSZ) are believed to have positively charged grain boundaries with compensating negative space charge layers at ambient temperatures and pressures [1]. The space charge region is formed by equilibrium segregation of point defects to the vicinity of the grain boundary to establish local charge neutrality. The point defect distributions, calculated from analytical space charge models [1] show that the negative space charge region is formed by a depletion oxygen vacancies and an excess of substitutional Y atoms, indicated as'VO” and YZr’ in standard Kröger-Vink notation (see fig. 1). The grain boundary segregation, in turn, has important ramifications for the mechanical and electrical behavior of the material [1,2]. The present work addresses space-charge segregation in YSZ, specifically addressing variations in segregation with grain boundary misorientation. We have examined a range of symmetric tilt [001] YSZ grain boundaries since they allow us to systematically vary the misorientation while providing the opportunity for atomic scale analysis.

Type
The Theory and Practice of Scanning Transmission Electron Microscopy
Copyright
Copyright © Microscopy Society of America

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References

1.Guo, X., Solid State Ionics 81 (1995) 235.CrossRefGoogle Scholar
2.Nowotny, J., Rekas, M. and Bak, T., Key Engineering Materials 153-154 (1998) 211.CrossRefGoogle Scholar
3.Dickey, E.C., Fan, X. and Pennycook, S.J., J. American Ceramic Society, submitted.Google Scholar
3. This work was supported by the NSF Division of Materials Research under contract #9976851 and and by the Division of Materials Sciences, U.S. Department of Energy, under contract DE-AC05-96OR22464 with Lockheed Martin Energy Research Corp.Google Scholar