Mechanical properties of materials depended on crystallographic texture and grain boundary characteristics. Stable twist grain boundaries were predicted by the coincidence site lattice method and compared to values calculated by molecular dynamics. The local relaxation of atoms in molecular dynamics could result in a stable structure at some misorientations that were not geometrically expected.

Study of Stability of Twist Grain Boundaries in HCP Zinc. H.Faraoun, G.Vincent, C.Esling, H.Aourag: Scripta Materialia, 2006, 54[5], 865-8