Radiation effect on BCC Fe nanoparticle with varying radiation energy by molecular dynamics simulation

Abstract

Molecular dynamics simulations were conducted to explore primary radiation damages on body-centered cubic (BCC) Fe nanoparticle. A series of 6 cascades for each primary knock-on atom (PKA) energy (5 keV, 10 keV, 20 keV, 30 keV and 40 keV) was simulated to assure statistical precision. It has been observed that defects created due to the interactions have stayed as a single to several size clusters. Among them, most of the clusters are either single interstitials (SIAs) or vacancies (Vs). In each of the energy cases, it produces one block of a big cluster. The block cluster of SIAs stays at the near surface of the nanoparticle, however, Vs stay inside the nanoparticle. The study has shown that the total number of vacancy defects is larger than the total number of interstitial defects because more PKA energy gives more mobility that some SIAs can get enough energy to leave the Fe nanoparticle.