Diffusion in doped and undoped amorphous zirconia

Autor:	Simon C. Middleburgh, L. J. Evitts, Megan W. Owen, Michael J.D. Rushton, Mattias Puide, Antoine Claisse, William E. Lee
Rok vydání:	2021
Předmět:	Lanthanide Nuclear and High Energy Physics Materials science Hydrogen Diffusion Doping technology industry and agriculture chemistry.chemical_element Amorphous solid Nuclear Energy and Engineering chemistry Chemical engineering Impurity General Materials Science Grain boundary Cubic zirconia
Zdroj:	Journal of Nuclear Materials. 555:153108
ISSN:	0022-3115
DOI:	10.1016/j.jnucmat.2021.153108
Popis:	Grain boundaries in ZrO2 may act as favourable pathways for species, such as oxygen and hydrogen, which play an important role in corrosion when compared with volume diffusion through the bulk of the crystalline material. It is known that segregation of impurity and alloying elements can lead to highly-doped grain boundaries with amorphous structure. Here, these amorphous structures are compared to crystalline materials of equivalent composition. Atomic scale modelling methods have been used to analyse diffusion in undoped systems and zirconia cells doped with 5.3 at.% and 11.0 at.% of trivalent lanthanide species. Diffusion coefficients, pre-exponential factors and activation energies are reported. Oxygen diffusivity was markedly increased in amorphous doped and undoped ZrO2 systems compared to equivalent undoped crystalline systems. Similar diffusivities are reported between amorphous and crystalline doped systems at the concentrations considered.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7408d6171d294a4a4cf4fccaeef471f5 https://doi.org/10.1016/j.jnucmat.2021.153108 Zobrazit plný text záznamu Full Text from ScienceDirect