Computer Modelling of Grain Boundaries for Optimizing the Properties of Polycrystalline Metallic Materials

Grain boundaries significantly influence the properties of polycrystalline metallic materials, particularly with grain sizes in the nano-metre range. The effect of grain boundaries on plasticity, fracture and corrosion resistance is well documented experimentally. The aim of this paper is to show that recent progress in modelling of the role of grain boundaries in metallic materials offers new possibilities for optimizing their properties.