Molecular dynamics study of oxygen-ion diffusion in yttria-stabilized zirconia grain boundaries

Molecular dynamics simulations of yttria-stabilized zirconia

Oxygen diffusion in the oxygen ionic conductor yttria-stabilized zirconia is investigated by means of the molecular dynamics simulation technique. Oxygen ions migrate by means of a discrete hopping process, mainly between neighbouring tetrahedral sites. Diffusion appears to occur in a short time and a long time regime. Only when the oxygen ions have moved over distances much larger than the cha...

Computational Modelling Study of Yttria-stabilized Zirconia

Oxygen reduction via grain boundary transport in thin film platinum electrodes on yttria stabilized zirconia

Model-type sputter deposited platinum microelectrodes with different grain sizes were investigated on single crystalline yttria stabilized zirconia (YSZ) by means of impedance spectroscopy. Measurements on single platinum microelectrodes could be continuously performed for > 100 h and from 250 to 800 °C without losing contact. From the temperature dependence, two parallel reaction pathways for ...

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-stabilized Zirconia

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much sl...

Yttria-Ceria Stabilized Polycrystals: Sintering, Boundary Segregation Tetragonal Zirconia Grain Growth and Grain

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