In 2020 my thesis, for my Masters in Scientific Computing, was awarded a Distinction by the University of Cambridge. This will form the foundations of my research focus for the next three years.
Abstract
The project aims to implement an off-lattice kinetic Monte Carlo model, based on the dimer saddle-point finding method, suitable for simulating the interaction of hydrogen with crystal defects in iron, such as vacancies, grain-boundaries and dislocations, over timescales not achievable with classical methods including molecular dynamics. The framework is used to interrogate the mechanisms of hydrogen embrittlement, causing severe loss in ductility in steels with complicated microstructures, focusing on hydrogen-vacancy systems.