Phase Stability in Nanocrystals: A Predictive Diagram for Yttria–Zirconia

Drazin, John W.; Castro, Ricardo H. R.; Green, ed., D. J.

doi:10.1111/jace.13504

Phase Stability in Nanocrystals: A Predictive Diagram for Yttria–Zirconia

Journal Article · Sun Feb 15 23:00:00 EST 2015 · Journal of the American Ceramic Society

DOI:https://doi.org/10.1111/jace.13504· OSTI ID:1400693

Drazin, John W. ^[1]; Castro, Ricardo H. R. ^[1]; Green, ed., D. J.

Department of Chemical Engineering and Materials Science &, NEAT ORU University of California ‐ Davis One Shields Avenue Davis California

Predicting the polymorphic stability of nanocrystals entails taking into account the thermodynamic effects from solid–vapor interfaces. With recent advances in microcalorimetry, it is finally possible to obtain reliable surface energy data which allow building of predictive diagrams, such as the usual phase diagrams for bulk crystals, for nanocrystals. Yttria doped zirconia (YZ) is currently utilized in a variety of applications; making it one of the most studied oxide systems to date. However, the polymorphism of nanocrystalline YZ (nYZ) is much less understood as compared to its bulk counterpart, and the stability conditions of cubic, tetragonal, monoclinic, and amorphous polymorphs at the nanoscale is so far only empirically defined. In this work, we present a new predictive nanoscale phase diagram for nYZ using unprecedented data on surface energies and bulk enthalpies acquired by microcalorimetry. The phase diagram shows the stable zirconia polymorph as a function of the composition and size. This is a useful tool and an important and novel advancement to relatively untouched bulk phase diagrams, which holds the key for reliable materials' design.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

OSTI ID:: 1400693

Journal Information:: Journal of the American Ceramic Society, Journal Name: Journal of the American Ceramic Society Journal Issue: 4 Vol. 98; ISSN 0002-7820

Publisher:: Wiley-BlackwellCopyright Statement

Country of Publication:: United States

Language:: English

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