title: High-frequency vibrational properties of metallic nanocrystalline grain boundaries.
abstract: The high-frequency phonon properties of a computer generated nanocrystalline (nc) fcc Ni with a mean grain size of 5 nm are investigated by directly calculating the on-site phonon Green's function using a recursion technique based on a continued fraction representation. It is found that the high-frequency tail, observed in both experiment and previous simulation work, arises primarily from spatially confined vibrational modes forming within the nc grain boundary regions.
authors.affiliation: Paul Scherrer Institute, 5232 Villigen, Switzerland.
authors.forename: P M
authors.initials: PM
authors.lastname: Derlet
authors.forename: H
authors.initials: H
authors.lastname: Van Swygenhoven