Departmental Seminar: Towards quantum accuracy in radiation damage simulations
Ever since the work of Marie Skłodowska-Curie more than 100 years ago, on the slowing down of alpha particles in sheets of metal, the effects of energetic particles in condensed matter have been the focus of intense research. Particle irradiation effects are of great technological importance, since they can modify the physical and mechanical properties of materials, the outcome of which is often detrimental to the materials employed in high radiation environments. Although past research has provided much insight on the formation of radiation damage, major outstanding questions remain.
It has long been recognized that non-adiabatic effects may play an important role in the formation of radiation damage from collision cascades induced by energetic particles. Despite this, including dynamical quantum-level effects comprehensively and efficiently in models for large scale atomistic simulations has proven itself to be an elusive goal. In this talk, I will describe the journey my work has taken me on, in the quest for higher fidelity predictions of radiation damage.