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 Σ7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%. [ABSTRACT FROM AUTHOR]