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@ARTICLE{Serrao:904561,
      author       = {Serrao, Prince Henry and Sandfeld, Stefan and Prakash,
                      Aruna},
      title        = {{O}pti{M}ic: {A} tool to generate optimized polycrystalline
                      microstructures for materials simulations},
      journal      = {SoftwareX},
      volume       = {15},
      issn         = {2352-7110},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2021-06131},
      pages        = {100708 -},
      year         = {2021},
      abstract     = {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, the
                      well-known Voronoi tessellation technique is regularly used
                      for obtaining microstructures. Standard Voronoi
                      tessellations, however, exhibit statistics that are
                      generally far removed from those in real microstructures.
                      Nevertheless, such tessellations can be optimized to obtain
                      certain key features and statistics seen in real
                      microstructures. In this work, we develop the open-source
                      software package OptiMic that enables the generation of
                      optimized microstructures for both finite element as well as
                      atomistic simulations. OptiMic allows for both
                      monodispersive grains as well as irregular grains obtained
                      currently via Voronoi tessellations. These initial
                      microstructures can then be optimized to reflect desired
                      statistical features. A key feature of the tool is that it
                      gives the user extensive control on the optimization process
                      via customizable cost functions. The software currently
                      performs tessellations with the Voronoi method and can be
                      easily extended to include other methods like grain-growth,
                      phase-field etc.},
      cin          = {IAS-9},
      ddc          = {004},
      cid          = {I:(DE-Juel1)IAS-9-20201008},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511) / MuDiLingo - A
                      Multiscale Dislocation Language for Data-Driven Materials
                      Science (759419)},
      pid          = {G:(DE-HGF)POF4-5111 / G:(EU-Grant)759419},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000695854600003},
      doi          = {10.1016/j.softx.2021.100708},
      url          = {https://juser.fz-juelich.de/record/904561},
}