Thermomigration of Hydrogen in Reactor Fuel Cladding Materials
Investigate the role temperature gradients play in hydrogen diffusion within nuclear fuel cladding. Develop advanced experimental and machine learning approaches to build digital twins capturing hydrogen transport and embrittlement, with direct industrial relevance in nuclear materials safety and optimization.
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Project Description
Project Overview
This project is part of the EPSRC CDT in Developing National Capability for Materials 4.0 with the Henry Royce Institute. It aims to study thermomigration, the transport of hydrogen in metals driven by temperature gradients, which impacts hydrogen embrittlement and hydride precipitation in reactor fuel cladding materials. The project will focus on zirconium alloys where steep temperature gradients arise from internal heating and water-side cooling.
The lack of experimental clarity regarding thermomigration driving forces and heat of transport values limits predictive capabilities. This project will construct a new experimental rig to measure heat of transport (Q*) robustly across broad temperature ranges using permeation cells with precise temperature control and mass spectrometry to detect hydrogen flux. A digital twin of the experiment will allow inversion of data to determine Q* values precisely.
What You Will Do
You will develop and operate the new measurement apparatus, collect heat of transport data in Zr alloys, and develop a digital material twin to capture hydrogen transport under complex conditions. Experimental results will be compared against physically-based models recently proposed to describe temperature dependence of heat of transport. You will also integrate machine learning approaches to relate atomistic configurations to thermomigration behavior, addressing electronic effects that challenge classical molecular dynamics simulations.
Expected Outcomes
The project will deliver high-fidelity experimental data and validated digital twins to predict hydrogen transport and embrittlement in nuclear cladding materials. The new insights and modelling tools will be integrated into Rolls-Royce’s comprehensive fuel cladding material design frameworks, enhancing industrial capability in safe and optimized nuclear fuel management.
Why This Matters
Understanding and accurately modeling hydrogen thermomigration is vital for nuclear fuel cladding safety and longevity. Thermomigration strongly influences hydrogen concentrations that cause embrittlement and microstructure evolution, making it critical for design and optimization in hydrogen-exposed structural metals. The project addresses a unique knowledge gap with direct implications for nuclear energy and hydrogen fuel technologies.
How to Apply
Eligibility
Supervisor Profile
Prof Felix Hofmann leads research on materials modelling with a focus on integrating physics-based and machine learning approaches to understand complex materials behavior under extreme conditions. Based at the University of Oxford, he specializes in nuclear materials and computational materials science, contributing significantly to the development of digital material twins for industrial applications.