Molecular dynamics and simulated annealing methods were used to study an asymmetrical  = 3 tilt boundary with a <211> rotation axis. The boundary plane was inclined at 84 with respect to the (111) plane. A simple central force N-body interatomic potential was used. The most stable configuration exhibited a broad band of predominantly body-centered cubic structure in the boundary region. Samples of bi-crystal with the same misorientation and inclination of the boundary plane were studied in a 1250kV transmission electron microscope, and the observations confirmed the predicted structure at the atomic level.

C.Schmidt, F.Ernst, M.W.Finnis, V.Vitek: Physical Review Letters, 1995, 75[11], 2160-3