A kinetic approach to modeling general-texture evolution in two-dimensional polycrystalline grain growth

作者：Yegorov I^*; Emelianenko M

来源：Computational Materials Science, 2016, 125: 224-242.

DOI：10.1016/j.commatsci.2016.08.040

• Polycrystalline materials
• Grain growth
• Grain boundary
• Energy anisotropy
• Cubic lattice symmetry
• Disorientation
• Number-weighted disorientation distribution function
• Length-weighted disorientation distribution function
• Boltzmann-type kinetic model

Important statistical descriptors of grain boundary networks are misorientation distribution functions (often referred to as grain boundary character distributions), which show relative measures of interfaces with given misorientation parameters. This paper is aimed at extending the Boltzmann-type kinetic modeling framework developed in the previous work (Yegorov et al., 2016) to the two-dimensional case of general textures with no restrictions on possible grain orientations, but under the assumption that the grain boundary energy density depends only on the disorientation variable. In order to avoid an enormous computational complexity of treating the general-texture case, the kinetic model for polycrystalline grain growth is constructed from the very beginning in a specific discretized form with respect to the disorientation variable. A significant aspect of the developed approach is that its formulation requires a collection of a priori distributions which describe possible disorientations of grain boundaries connected in a triple junction. A separate numerical algorithm for approximating such distributions is proposed as applied to cubic crystal lattices. The numerical results obtained by the constructed model are in good agreement with the corresponding large-scale simulation results from the related literature.

• 出版日期2016-12