Correlation between three-dimensional and cross-sectional characteristics of ideal grain growth: large-scale phase-field simulation study
Correlation between three-dimensional and cross-sectional characteristics of ideal grain growth: large-scale phase-field simulation study
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DOI：
10.1007/s10853-018-2680-y
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发表时间：
2018-07
影响因子：
4.5
通讯作者：
Eisuke Miyoshi;T. Takaki;M. Ohno;Y. Shibuta;S. Sakane;T. Shimokawabe;T. Aoki
中科院分区：
文献类型：
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作者：
Eisuke Miyoshi;T. Takaki;M. Ohno;Y. Shibuta;S. Sakane;T. Shimokawabe;T. Aoki
晶粒长大是影响多晶材料微观结构的最基本的现象之一。在实验研究中，通常通过检测二维(2D)截面来研究三维(3D)晶粒生长。然而，从横断面观察可以在多大程度上获得三维微结构特征仍不清楚。此外，对于3D晶粒生长的横断面图是否可以完全用2D生长来近似，也存在一些分歧。在这项研究中，我们使用多相场方法和在超级计算机上的并行图形处理单元计算，对具有大约300万初始颗粒的3D和2D理想晶粒生长进行了大规模模拟。该计算尺度支持3D、横截面和2D颗粒结构的详细比较，具有良好的统计可靠性。我们的模拟表明，横截面中的颗粒生长行为与3D和全2D空间中的颗粒生长行为有很大的不同，这表现在颗粒尺寸的平均和分布以及单个颗粒的生长动力学上。另一方面，我们发现三维的平均晶粒尺寸可以估计为横截面的1.2倍左右，这与体视学中的经典理论很好地吻合。此外，基于Saltykov-Schwartz方法，我们提出了一种预测模型，该模型可以从横截面尺寸分布估计三维颗粒尺寸分布。
Grain growth is one of the most fundamental phenomena affecting the microstructure of polycrystalline materials. In experimental studies, three-dimensional (3D) grain growth is usually investigated by examining two-dimensional (2D) cross sections. However, the extent to which the 3D microstructural characteristics can be obtained from cross-sectional observations remains unclear. Additionally, there is some disagreement as to whether a cross-sectional view of 3D grain growth can be fully approximated by 2D growth. In this study, by employing the multi-phase-field method and parallel graphics processing unit computing on a supercomputer, we perform large-scale simulations of 3D and 2D ideal grain growth with approximately three million initial grains. This computational scale supports the detailed comparison of 3D, cross-sectional, and 2D grain structures with good statistical reliability. Our simulations reveal that grain growth behavior in a cross section is very different from those in 3D and fully 2D spaces, in terms of the average and distribution of the grain sizes, as well as the growth kinetics of individual grains. On the other hand, we find that the average grain size in 3D can be estimated as being around 1.2 times that observed in a cross section, which is in good agreement with classical theory in the stereology. Furthermore, based on the Saltykov–Schwartz method, we propose a predictive model that can estimate the 3D grain size distribution from the cross-sectional size distribution.