At sufficiently high energies, the wavelengths of electrons and photons are short enough to only interact with one atom at time, leading to the popular %E2%80%9Cindependent-atom approximation%E2%80%9D. We attempted to incorporate atomic structure in the generation of cross sections (which embody the modeled physics) to improve transport at lower energies. We document our successes and failures. This was a three-year LDRD project. The core team consisted of a radiation-transport expert, a solid-state physicist, and two DFT experts.
This report documents work conducted in FY13 on electrical discharge experiments performed to develop predictive computational models of the fundamental processes of surface breakdown in the vicinity of high-permittivity material interfaces. Further, experiments were conducted to determine if free carrier electrons could be excited into the conduction band thus lowering the effective breakdown voltage when UV photons (4.66 eV) from a high energy pulsed laser were incident on the rutile sample. This report documents the numerical approach, the experimental setup, and summarizes the data and simulations. Lastly, it describes the path forward and challenges that must be overcome in order to improve future experiments for characterizing the breakdown behavior for rutile.