A combined experimental and theoretical analysis of the structure of finite-sized Σ3 {112} grain boundaries in Au was presented. High-resolution electron microscopy showed lattice translations at the grain boundary, with the magnitude of the translation varying along the finite-sized grain boundaries. The presence of this structural profile was explained using continuum elasticity theory and first-principles calculations as originating from a competition between elastic energy and the energy cost of forming continuous {111} planes across the boundary. This competition leads to a structural transition between offset-free and non-trivial grain boundary structures at a critical grain boundary size, in agreement with the experiments. A method was also provided for estimating the energy barrier of the γ surface.

Finite-Size Effects on the Structure of Grain Boundaries. E.A.Marquis, J.C.Hamilton, D.L.Medlin, F.Léonard: Physical Review Letters, 2004, 93[15], 156101 (3pp)