Validating a mean-field theory via large-scale phase-field simulations for abnormal grain growth induced by nonuniform grain boundary properties
Validating a mean-field theory via large-scale phase-field simulations for abnormal grain growth induced by nonuniform grain boundary properties
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DOI：
10.1007/s10853-022-07660-4
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发表时间：
2022-09
影响因子：
4.5
通讯作者：
Eisuke Miyoshi;M. Ohno;Y. Shibuta;A. Yamanaka;T. Takaki
中科院分区：
文献类型：
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作者：
Eisuke Miyoshi;M. Ohno;Y. Shibuta;A. Yamanaka;T. Takaki
Humphreys提出的平均场理论被广泛用于预测或解释由非均匀晶界性质引起的异常晶粒生长。基于这一理论，一个特定的晶粒的异常生长条件，可以表示为只有三个参数的函数：尺寸比，边界能量比，和特定的晶粒与周围的基体晶粒之间的迁移率比。然而，这一理论的定量和系统的验证尚未报告，无论是在实验中，也没有模拟。在这项研究中，为了阐明平均场理论的有效性，我们进行了大规模的相场模拟的二维和三维的异常晶粒生长。采用多相场数值模型和并行图形处理单元计算，这使得能够精确分析具有数十万个晶粒的大规模系统中的异常生长，同时考虑晶界性质的不均匀性。进行系统的模拟，而不同的尺寸比，边界能量比，和特定的晶粒和基体晶粒之间的迁移率比。模拟结果和理论预测的异常晶粒长大行为，即，详细比较了异常生长是否发生以及异常生长的颗粒所能达到的最大尺寸。大规模多相场模拟首次定量地揭示了平均场理论和数值模拟之间的一致性，表明平均场理论是描述异常晶粒生长的通用手段。图形摘要
The mean-field theory proposed by Humphreys is widely used to predict or interpret abnormal grain growth induced by nonuniform grain boundary properties. Based on this theory, the abnormal growth conditions of a specific grain can be expressed as a function of only three parameters: the size ratio, boundary energy ratio, and mobility ratio between the specific grain and its surrounding matrix grains. However, quantitative and systematic validation of this theory is not yet reported neither in experiments nor simulations. In this study, to elucidate the validity of the mean-field theory, we perform large-scale phase-field simulations for two-dimensional and three-dimensional abnormal grain growth. The multi-phase-field numerical model and parallel graphics processing unit computing are employed, which enables the accurate analyses of abnormal growth in large-scale systems with several hundreds of thousands of grains while accounting for the nonuniformity in grain boundary properties. Systematic simulations are performed while varying the size ratio, boundary energy ratio, and mobility ratio between the specific grain and matrix grains. The simulated results and theoretical predictions on the abnormal grain growth behaviors, i.e., whether or not the abnormal growth occurs and the maximum size that can be reached by an abnormally growing grain, are compared in detail. The large-scale multi-phase-field simulations reveal for the first time the agreement between the mean-field theory and numerical simulation quantitatively, demonstrating that the mean-field theory is a versatile means for describing abnormal grain growth.Graphical abstract