Computer simulation of defects and oxygen transport in yttria-stabilized zirconia
We have used molecular dynamics simulations and energy minimization calculations to examine defect energetics and oxygen diffusion in yttria-stabilized zirconia (YSZ). Oxygen vacancies prefer to be second nearest neighbors to yttrium dopants. The oxygen diffusion coefficient shows a peak at 8 mol% y...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Elsevier
2006
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/35063 |