Defect interactions and ionic transport in scandia stabilized zirconia

Classical molecular dynamics simulation has been used to study ionic transport inscandia-stabilized zirconia, as well as scandia and yttria-co-doped zirconia, as a function of temperature and composition. The oxygen diffusion coefficient shows a peak at a composition of 6 mol% Sc2O3. At 1125 K and h...

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Bibliographic Details
Main Authors: Devanathan, R, Thevuthasan, S, Gale, Julian
Format: Journal Article
Published: Royal Society of Chemistry 2009
Online Access:http://hdl.handle.net/20.500.11937/32271