PNNL

Abstract

Molecular dynamics simulations using a modified Tersoff potential have been used to study the primary damage state and statistics of defect production in displacement cascades in 3C-SiC. Recoils with energies from 0.25 to 30 keV were simulated at 300 K. The results indicate that: 1) the displacement threshold energy surface is highly anisotropic; 2) the dominant surviving defects are C interstitials and vacancies; 3) the defect production efficiency decreases with increasing recoil energy; 4) defect clusters are much smaller and more sparse compared to those reported in metals; and 5) a small fraction of the surviving defects are anti-sites.