Introducing Project MEDA: Our latest venture delves into the intricate world of ion target collisions at energies surpassing 10 eV/u, unleashing inelastic processes that span attoseconds to picoseconds. Focusing on both quantum and classical methodologies, we aim to explore these collisions in complex systems, expanding on existing methods tailored for smaller systems. Project MEDA is set to yield cross-sections for various inelastic processes, providing essential parameters for modeling environments in nuclear fusion, proton therapy, and plasma control technologies.
The classical methodology incorporates two active electrons in the target, offering insights into double capture, double ionization, and capture-ionization. Additionally, we apply numerical solutions of the time-dependent Schrödinger equation to ion collisions with small molecules, constructing effective potentials. Notable systems, including H2O, uracil, and other nitrogen bases relevant to proton therapy, undergo rigorous study.
At lower collision energies (10 to 1000 eV/u), ab initio quantum mechanics methods come into play, especially in collisions involving protons with urea, furan, and uracil molecules. We explore the electronic structure of ion-molecule systems, identifying relevant electronic states and non-adiabatic couplings. This data informs the time-dependent wave function of collisional systems, considering diverse ion-molecule trajectories to accommodate molecular anisotropy.
Our research extends to nanolithography, where we investigate inelastic processes in collisions of tin ions with H2/D2 molecules. A meticulous treatment of molecular vibration is integral to our analysis.
Lastly, fragmentation calculations of excited states of the H2O molecule provide insights into produced fragments, their relative fractions, and kinetic energy. This information is vital for understanding trajectories and the consequences of collisions with other molecules. Our ongoing refinement of classical trajectory methods aims to glean collisional data for molecules with a greater number of degrees of freedom.
Join us on this exciting journey as we unravel the complexities of ion-target collisions across various energy regimes.