Nanocrystalline Materials

You can build initial configurations for molecular simulations of nanocrystalline materials using the code VoronoiTesselation.tar. The code was written in 2014 . It was employed for the construction of the initial configurations used in the article "Hydrogen diffusion and trapping in nanocrystalline tungsten" (http://dx.doi.org/10.1016/j.jnucmat.2014.12.069). Inside the tarball you can find a README file with instructions. For further details you can read the article mentioned above. Please cite the article if you use the code!