Data-driven modelling of irradiation induced defects in fusion materials

Summary: The materials used to build a fusion reactor undergo bombardment from high-energy radiation. In the case of metals, irradiation causes the accumulation of dislocation loops which self-organise into complex microstructures, changing the mechanical properties of the material. To predict this phenomenon accurately, new models are needed. This project will therefore focus on developing a new mathematical framework to connect discrete atomistic models of dislocation loops to continuum differential equations. The resulting modelling hierarchy will be applied computationally to predict the evolution of dislocation loop microstructures, providing an assessment of tungsten's suitability for fusion applications.

Background: Dislocations are topological line defects found in crystals, and are the carriers of plasticity in metals i.e. irreversible deformation. The discovery of dislocations was a key scientific achievement of the 20th century, providing an explanation of the mechanism by which humanity has been able to work metals for thousands of years. As such, understanding how dislocations behave in a metal sample is crucial to understanding how it may deform, crack and fail. A key complexity in studying dislocations is their number: a single cubic centimetre of tungsten may contain on the order of 10,000km of dislocation line. Moreover, dislocations interact in a complex non-local fashion through stress fields in the material. Mathematical theories to describe this have been developed over the last 60 years, and this project seeks to exploit some of these advances in a new setting (see references below).

In fusion material in particular, materials are exposed to bombardment by high-energy radiation, taking them out of the usual equilibrium setting. This is a completely new frontier in materials engineering, and so new mathematical and computational models are in development in this setting. Using the computational and mathematical methodologies which are...