Molecular dynamics simulations of displacement cascades in α-iron

Radiation damage in α-iron has been investigated by molecular dynamics simulations using an embedded atom type many-body potential (EAM). Defect production and clustering were studied in high energy (up to 10 keV) displacement cascades as well as the influence of the lattice temperature on these results. A local approach was developed to measure physical parameters, as the crystalline order or the distribution of the kinetic energy, in selected cells of the initially subdivided crystal during the cascade evolution. The detailed analysis of atomic displacements showed the quasi-channeling of some particles in the crystal. In a preliminary study, atomic mass effects on defect production were pointed out in an α-iron system where the mass for 50% of the atoms was artificially reduced to the mass of aluminum.