Various empirical potentials which were commonly used in the study of coincidence grain boundaries were compared. It was noted that such potentials were unable to describe all deformations accurately. In some cases, the uncertainties were greater than the difference in energy between 2 structures with the same coincidence orientation, and these potentials therefore could not distinguish between them. Calculations were also performed by using a newer potential which took 4-body interactions into account. This potential accurately described all deformations, and led to better results than those which could be obtained by using the usual potentials.

B.Lebouvier, A.Hairie, F.Hairie, G.Nouet, E.Paumier: Materials Science Forum, 1996, 207-209, 277-80