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      Modeling of Polycrystalline Material Microstructure with 3D Grain Boundary Based on Laguerre–Voronoi Tessellation

      , , , ,
      Materials
      MDPI AG

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          Abstract

          Voronoi tessellations are shown to be statistically representative of polycrystalline microstructures, which have been widely accepted for the modeling of microstructures of metallurgic and ceramic materials. In this paper, a new implementation of the Voronoi diagram in Laguerre geometry is presented for the generation of numerical models of polycrystalline microstructures, where the size and shape of the grains can be controlled, and the 3D grain boundaries can be modeled with a specified thickness. The distribution of grain sizes in the models is fitted to a lognormal distribution, compared with the normal distribution in the Voronoi tessellation methods. Finally, statistical analyses of grain face and grain size distribution are performed with the models, and the macroscopic elastic properties of polycrystalline ceramic materials are simulated to verify the capability of the presented method.

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          Most cited references23

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          Nanomaterials. Making strong nanomaterials ductile with gradients.

          H Lu (2014)
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            Random packings of spheres and spherocylinders simulated by mechanical contraction.

            We introduce a simulation technique for creating dense random packings of hard particles. The technique is particularly suited to handle particles of different shapes. Dense amorphous packings of spheres have been formed, which are consistent with the existing work on random sphere packings. Packings of spherocylinders have also been simulated out to the large aspect ratio of alpha=160.0. Our method packs randomly oriented spherocylinders to densities that reproduce experimental results on anisotropic powders and colloids very well. Interestingly, the highest packing density of phi=0.70 is achieved for very short spherocylinders rather than spheres. This suggests that slightly changing the shapes of the particles forming a hard sphere glass could cause it to melt. Comparisons between the equilibrium phase diagram for hard spherocylinders and the densest possible amorphous packings have interesting implications on the crystallization of spherocylinders as a function of aspect ratio.
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              Large-scale 3D random polycrystals for the finite element method: Generation, meshing and remeshing

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                Author and article information

                Contributors
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                Journal
                MATEG9
                Materials
                Materials
                MDPI AG
                1996-1944
                March 2022
                March 08 2022
                : 15
                : 6
                : 1996
                Article
                10.3390/ma15061996
                62d2c1a1-8928-41a0-b63c-456f928e3f35
                © 2022

                https://creativecommons.org/licenses/by/4.0/

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