X-ray Diffraction Study and Modeling of Damaged Layers in Y2.5Nd0.5Al5O12 Ceramics after Swift Heavy Xe Ions Irradiation

Abstract

The paper presents a multiscale modeling of defect formation and latent track generation processes under irradiation of neodymium-doped yttrium-aluminum garnet ceramics with xenon swift heavy ions. The structural characteristics of the material before and after interaction with Xe ions are calculated, and the sizes of the amorphized region of the crystalline matrix are estimated. The theoretical X-ray diffraction pattern is calculated and compared with the experimental one. Good qualitative and quantitative agreement between the calculation results and the experiment is demonstrated, and an interpretation of the X-ray diffraction data is proposed based on the results of molecular dynamics modeling.