Quantitative high-resolution electron microscopy was used to study the atomic structure of S11 (113)/[140] symmetrical tilt grain boundaries. The results for atomic column locations were compared quantitatively, with atomistic simulations of the structure of the grain boundary, by using embedded-atom method potentials and local density approximation methods. There was a statistically significant difference between the experimental image, and a simulated image that was based upon the embedded-atom model. The experimentally determined grain boundary structure was in better agreement with the local density approximation-based results.

Determination of Grain Boundary Atomic Structure Using Quantitative High-Resolution Electron Microscopy. G.H.Campbell, W.E.King, S.M.Foiles, D.Cohen: Materials Science Forum, 1999, 294-296, 293-6