Molecular dynamics simulations of yttria-stabilized zirconia

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

WEAR REESISTANCE OF NANOSTRUCTURED AND CONVENTIONAL YTTRIA-STABILIZED ZIRCONIA COATINGS

Partially stabilized zirconia (PSZ) has been proven to be an excellent candidate as a thermal barrier coating (TBe) for hot sections in, for instance, heat or internal combustion engines and gas turbine parts. The main functions of these coatings are reducing heat losses, reducing fuel consumption, increasing efficiency, and extending durability and life. One of the main problems involved is we...

Transparent nanocrystalline yttria-stabilized-zirconia calvarium prosthesis.

UNLABELLED Laser-based diagnostics and therapeutics show promise for many neurological disorders. However, the poor transparency of cranial bone (calvaria) limits the spatial resolution and interaction depth that can be achieved, thus constraining opportunity in this regard. Herein, we report preliminary results from efforts seeking to address this limitation through use of novel transparent cr...

Equilibrium Analysis of CVD of Yttria-Stabilized Zirconia

The calculations performed in this study indicate that efficient deposition of tetragonal yttria-stabilized zirconia ~YSZ! by chemical vapor deposition ~CVD! is feasible using metal chloride precursors ~Zr-Y-C-O-H-Cl system!. As reported in the literature, this work demonstrates that high oxygen content is necessary to efficiently utilize metal chloride precursors for depositing tetragonal YSZ ...