InternalRadiation damage in covalent solids by intense ultra-short soft X-ray pulses
Speaker: Carlos Ortiz (HASYLAB)
Date and location: Monday, 06 April 2009, 14:00-15:30
Through irradiation with intense femtosecond soft X-ray pulses the structural damage originating from ultra-fast non-thermal phase transitions is observed. A computational model which combines electronic structure theory with molecular dynamics (MD) for the atomic motion is extended to include interactions relevant at soft X-ray wavelengths (6-13.5 nm). Dedicated Boltzmann transport equation is derived, with electron relaxation rates calculated from density functional theory and energy loss function from binary encounter theory. Preliminary results for diamond are presented and compared to the earlier predictions from MD simulations.
