Comparative behavior of carbon in b.c.c. and f.c.c. iron

Abstract

We have investigated the different behavior of a carbon atom in b.c.c. and f.c.c. metal lattices (α and γ iron lattices) by means of Molecular Dynamics computer simulations. We have evaluated the structural response or the host to the presence of the intrusion in terms of lattice distortion and the relevant thermodynamic properties related to the solute-solvent interaction (site energy, migration energy, diffusion paths, interaction with the host point defects).