PNNL

Abstract

Experimental and computational approaches are used to study the defects, defect clusters and long-range structural disorder produced by interaction of energetic ions with SiC. The accumulation and recovery of disorder on the Si and C sublattices are determined by ion-beam analysis methods in channeling geometry. Ab initio calculations have determined the most stable interstitial configurations, which are consistent with multi-axial channeling measurements. Molecular dynamics methods have been used to study both the energy dependence of defect production and the dynamic processes of cascade overlap. The experimental measurements of damage accumulation and the results of molecular dynamics are consistent with each other. Thus, the integration of experimental and computational studies is providing atomic-level understanding of irradiation-induced defects and disordering processes in SiC.