Atomistic modelling of polycrystalline microstructures: An evolutional approach to overcome topological restrictions

An evolutional version of the Modified Voronoi Tessellation is proposed to overcome the topological restrictions of the traditional methods of polycrystalline microstructure generation: cell size distribution, cell shape isotropy and volume fill density can be simultaneously imposed as target conditions. Examples are proposed highlighting a correlation between cell shape isotropy and relative position of centres and sides of the cells. Realistic microstructures impossible to obtain with traditional tessellation methods are shown.