Simulation of thermal-chemical properties of minor-actinide bearing fuels

Supervisor: Dr. Tessa Davey (UKAEA Reader in Nuclear Materials, Nuclear Futures Institute, Bangor University)

This PhD project is one of two projects being advertised in the School of Computer Science and Engineering at Bangor University that are supported by the TRANSPARANT project (Technological Research Action Necessary for Safe PARtitioning And Nuclear Transmutation) which aims to achieve advancements towards reducing waste generation and enhancing fuel efficiency in Generation IV fission technologies, as well as ensuring safe operation by making progress towards the qualification procedure of advanced nuclear fuels.

This PhD project will investigate thermal-chemical properties of fresh and irradiated minor-actinide bearing fuels using atomistic simulation methods. The objective of the overarching research is to obtain thermal and thermal-chemical data and further understanding of the mechanisms underlying the behaviour of minor actinide-bearing fuels during fabrication and in-reactor irradiation. This PhD project contributes to multiscale modelling of these effects.

In this PhD project, electronic structure calculations of structural and thermal-chemical properties including thermal conductivity will be performed for selected “Joint-Oxyde-Gaine” and “Reaction Oxyde-Gaine” (JOG/ROG) compounds, which can be represented with the element systems Cs-Te-Mo-Ba-I-O (JOG) and Cs-Cr-Mo-O (ROG). Other related materials systems relevant to the project will also be considered where appropriate. Complementary experimental work will take place by other researchers at Bangor University and collaborating institutions for comparison and validation of simulation work, and the results from the simulations will feed into CALPHAD phase diagram models.

Applicants should have an interest in high-performance computing, nuclear materials and engineering, effective communication skills, and a relevant degree in materials, physics, computer science, chemistry, engineering, or a related field.

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