Identification of Grain Boundary Atomic Structure in Gold by Matching Lattice Imaging Micrographs with Simulated Images

Abstract

Grain boundary atomic structures in some of representative ⟨110⟩ symmetrical tilt boundaries in gold were examined by systematic comparison of multi-beam lattice imaging micrographs with computed images in order to assess the usefulness of the matching analysis in identifying the atomic structures and thus to help metal physicists to improve the model potentials to simulate defect structures in metals.
The matching experiment showed that the configurational identification is achieved if the alternative atomic structures differ significantly and if a set of micrographs at specified defocus values and specimen tilts are available. The present micrographs revealed certain vibrational or segregational features in addition to the expected structural information.