title: Role of segregating impurities in grain-boundary diffusion.
abstract: The impact of segregating impurities on grain-boundary diffusion is investigated using a kinetic Monte Carlo simulation of boundary transport on a lattice that is appropriate for both slab and pipe geometries. More specifically, the grain-boundary diffusivity is determined as a function of impurity concentration using an analog of the experimental sectioning method. The retardation of diffusion that results from segregation is interpreted in terms of site-blocking models that reflect the local free volume available to a diffusing tracer. Finally, the results of this investigation are interpreted in the context of experimental determinations of grain-boundary diffusivity in doped ceramic oxides.
authors.affiliation: Department of Materials Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA.
authors.forename: P
authors.initials: P
authors.lastname: Kansuwan
authors.forename: J M
authors.initials: JM
authors.lastname: Rickman