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Theory and simulation of electronic stopping power for radiation damage

Ion projectiles crossing through matter produce all sorts of damage. Understanding this damage is of great importance in different contexts, from the nuclear (fission, fusion, waste) and aerospace (cosmic rays) industries, to hadron radio-therapy against cancer. The phenomenology is varied depending on the host material and the energy and type of projectile. At high projectile velocities the processes are clearly non-adiabatic, the projectile producing important excitations on the electrons of the host, which implies a substantial theoretical and computational challenge. We will focus on the simulation of such processes using mostly time-dependent (time-evolving) density-functional theory in varied types of matter, with an emphasis in soft and nano matter, and especially, on highly charged projectiles, for which there are large discrepancies between present understanding and experimental data. The project will imply both methodological/theoretical work as well as computer simulations.

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