The threshold displacement energies of Si and C atoms at 300K were determined, by means of molecular dynamics simulations, for the directions: [001], [110], [111] and [[¯1¯1¯1]. The existence of recombination barriers which permitted the formation of metastable defects even below the threshold energy was observed. Displacement cascades which were produced by both C and Si recoils, with energies ranging from 0.5keV up to 5 or 8keV, respectively, were also simulated by using molecular dynamics methods for 300 and 1300K. These predictions, together with analyses of damage accumulation at 1300K, revealed that the 2 sub-lattices exhibited opposite responses to irradiation. That is, little damage was produced on the so-called ductile Si sub-lattice, but many defects accumulated on the much more fragile C sub-lattice. The low defect mobility in the carbide prevented the study of defect evolution by means of molecular dynamics simulations.

Analysis of Displacement Cascades and Threshold Displacement Energies in β-SiC J.M.Perlado, L.Malerba, A.Sanchez-Rubio, T.Diaz De la Rubia: Journal of Nuclear Materials, 2000, 276, 235-42