Ion beams delivered by particle accelerators are routinely used to emulate harsh, radiative environments and they also constitute the foundations of the modern microelectronics industry. To characterize irradiated materials, numerous experimental and computational techniques can be implemented, but it is extremely dicult to eectively intertwine them, and to compare the associated data. In the present work, we present an integrated, experimental and computational approach that uses a same set of molecular dynamics simulations to generate signals of Rutherford backscattering spectrometry in channelling condition and X-ray diraction, with UO 2 as a test-case material. From these signals, parameters to monitor the damage level are computed, compared and confronted with experimental data. Although the evolution of the strain and disordering kinetics obtained by simulations differ on an absolute scale from those obtained experimentally (a discrepancy inherent to the method used to generate the atomic-scale data), a very good relative agreement is obtained, which demonstrates the validity of the approach, hence providing a new tool for the ne study of irradiation eects in materials.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.