Atomistic simulations of grain boundary pinning in CuFe alloys

We apply a hybrid Monte Carlo-molecular dynamics code to the study of grain boundary motion upon annealing of pure Cu and Cu with low concentrations of Fe. The hybrid simulations account for segregation and precipitation of the low solubility Fe, together with curvature-driven grain boundary motion. Grain boundaries in two different systems, a Sigma 7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%. (c) 2005 American Institute of Physics.