首页> 外文期刊>Acta Materialia >COMPUTER SIMULATION OF GRAIN BOUNDARY SPATIAL DISTRIBUTION IN A THREE-DIMENSIONAL POLYCRYSTAL WITH CUBIC STRUCTURE
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COMPUTER SIMULATION OF GRAIN BOUNDARY SPATIAL DISTRIBUTION IN A THREE-DIMENSIONAL POLYCRYSTAL WITH CUBIC STRUCTURE

机译:具有立方结构的多维聚合物中晶界空间分布的计算机模拟

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摘要

A close packed aggregate of Kelvin polyhedra is used to model the spatial distribution of different types of grain boundaries (GBs) in a three-dimensional polycrystal. Orthogonal matrices of rotation of a reference unit crystal are randomly generated and stochastically assigned to the volume units. The misorientation matrices of neighboring polyhedra are computed and low-angle and special misorien- tations are selected out of them. Finally, the positions of certain types of GBs in the volume under calculation determine what allows to fix the clusters of low-energy GBs. For various classifications of low-energy GBs, the frequency of cluster sizes in polycrystal is estimated.
机译:开尔文多面体的紧密堆积聚集体用于模拟三维多晶中不同类型的晶界(GB)的空间分布。随机生成参考单位晶体的正交旋转矩阵,并将其随机分配给体积单位。计算相邻多面体的取向错误矩阵,并从中选择低角度和特殊取向错误。最后,正在计算的卷中某些类型的GB的位置决定了可以修复低能耗GB集群的因素。对于低能GB的各种分类,估计了多晶中簇大小的频率。

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