Complex grain boundary behaviour in ZrO2 - Impact of coolant chemistry

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The reactor coolant chemistry has a significant effect on the overall corrosion behaviour of nuclear fuel cladding materials within a reactor. Efficient optimization of alloys and coolant chemistries can be significantly aided by gaining a mechanistic understanding of the corrosion mechanisms. This project will combine a cutting edge atomic scale modelling methodology with targeted experiments to advance the field. Complex grain boundaries in ZrO2 are to be investigated to understand their role in the transport of hydrogen towards and oxidation of the underlying Zr metal. The coolant chemistry's impact on these behaviours will be studied by using a combination of atomic scale modelling techniques and experiment. The aim will be to provide a mechanistic understanding of the effect that coolant chemistry has on the system: potentially stabilizing the amorphous structure and impacting defect transport.