OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations

Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, well-known Voronoi tessellation technique is regularly used obtaining microstructures. Standard tessellations, however, exhibit statistics that are generally far removed from those real Nevertheless, such tessellations can be optimized to obtain certain key features seen In this work, we develop open-source software package OptiMic enables generation microstructures both finite element as well atomistic simulations. allows monodispersive grains irregular obtained currently via tessellations. These initial then reflect desired statistical features. A feature tool it gives user extensive control on optimization process customizable cost functions. The performs method easily extended include other methods like grain-growth, phase-field etc.