Simulation of ion implantation into nuclear materials and comparison with experiment

Abstract

A new many-body potential is proposed for pure molybdenum that consists of using ab initio and atomistic MD simulation methods verified against existing surface erosion experimental data. Mo is an important material for metallic U-Mo alloys for using them in low-enriched fuels. Several new Xe-Mo potentials were also parameterized by comparing the calculated sputtering yield of a Mo-surface bombarded with Xe ions with experimental data. Calculated results were also compared with defect distributions in CeO2 crystals obtained from experiments by 500 keV Xe implantation at the doses of 1×1017 ions/cm 2 at several temperatures. © 2011 American Institute of Physics.