4-7 November 2019
PSI Auditorium
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Atomic scale modelling of stoichiometry deviation in amorphous zirconia

5 Nov 2019, 17:30
WHGA/001 (PSI Auditorium)


PSI Auditorium

Forschungstrasse 11 5232 Villigen PSI Switzerland


Simon Middleburgh (Bangor University)


A combination of materials modelling techniques and targeted experimental investigations have identified the manner in which non-stoichiometry is accommodated in both crystalline and amorphous ZrO$_2$. Not only is excess oxygen possible in both crystalline and amorphous ZrO$_2$, but it is found that there is a high propensity for significant deviations–especially in the amorphous system–forming ZrO$_{2+x}$. This has clear implications to the behaviour and degradation of ZrO$_2$ as the boundary oxide protecting zirconium alloys within a water cooled nuclear power reactor.

Primary author

Simon Middleburgh (Bangor University)


Ms Megan Owen (Bangor University) Dr Michael Rushton (Bangor University) Dr Antoinne Claisse (Westinghouse Electric Sweden AB) Dr Iuliia Ipatova (Bangor University) Dr Evitts Lee (Bangor University) Prof. William Lee (Bangor University)

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