Oxygen self-diffusion mechanisms in monoclinic
In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2018
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| Online Access: | http://hdl.handle.net/1721.1/114449 https://orcid.org/0000-0003-1855-0708 https://orcid.org/0000-0001-8966-4169 https://orcid.org/0000-0002-2688-5666 |