The quantitative prediction of grain boundary stiffness as a function of boundary inclination, using molecular dynamics simulations in a series of Σ5 [001] tilt grain boundaries, was reported. The grain boundary stiffness exhibited a large anisotropy, which was of the same order of magnitude as that of the grain boundary mobility. These 2 anisotropies nearly cancelled; leaving the reduced mobility (product of the stiffness and boundary mobility) nearly isotropic.

Determination of Grain Boundary Stiffness from Molecular Dynamics Simulation. H.Zhang, D.Du, D.J.Srolovitz, M.I.Mendelev: Applied Physics Letters, 2006, 88[12], 121927 (3pp)