Kinetic simulations of core-hole relaxation in bulk material irradiated by hard x-rays

Beata Ziaja, Vikrant Saxena, Sang-Kil Son, Nikita Medvedev, Michal Stransky, Bianka Woloncewicz, and Benjamin Barbrel

[BibTeX]http://www.dpg-verhandlungen.de/year/2016/conference/hannover/part/p/session/22/contribution/3

Irradiation of bulk material by hard x-rays creates a non-equilibrium state characterized by the presence of core-hole states taking complicated relaxation paths towards ground state configurations. This relaxation process involves a large number of active configurations even in case of moderately heavy atoms (e.g., 1323 configurations for argon). It is computationally challenging to follow them, even with a kinetic approach which is otherwise an efficient approach for simulation of irradiated bulk material. Here, we propose a simplified approach which limits the number of active configurations by restricting the sample relaxation to the predominant relaxation paths. We test its reliability, by performing the full calculation for carbon, and comparing it with the simplified scheme.

Tags: CFEL, DESY