晶粒生长：其统计行为的计算模拟
海归学者发起的公益学术平台
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交流学术，偶尔风月
晶粒生长，是伴随曲率驱动边界迁移的竞争性生长，是冶金学及其他相关学科中最重要的现象之一。然而，即使是最简单、最“理想”的晶粒生长，其真实物理图像也还是争议不断。为了解理想的晶粒生长行为，来自日本京都理工大学的Tomohiro Takaki及其研究团队对此进行了大尺度相场模拟。所进行的数值模拟在时空尺度上比之前所谓最大尺度模拟还要大十倍以上。足够多的晶粒数量确保了统计学意义，使这些模拟能够达到真正稳态近似。基于相场模拟，他们对理想晶粒生长进行了全面理论描述，并量化了理想晶粒的生长行为，为理想晶粒的生长提供了令人信服的结论。这些研究结果为理解真实材料复杂影响因素提供了一个理论模型，从而为研究真实晶粒生长过程奠定了基础。本文近期发表于npj Computational Materials 3:25 (2017); doi:10.1038/s41524-017-0029-8; 标题与摘要如下，论文PDF文末点击阅读原文可以获取。
Ultra-large-scale phase-field simulation study of ideal grain growth
Eisuke Miyoshi, Tomohiro Takaki, Munekazu Ohno, Yasushi Shibuta, Shinji Sakane, Takashi Shimokawabe & Takayuki Aoki
Grain growth, a competitive growth of crystal grains accompanied by curvature-driven boundary migration, is one of the most fundamental phenomena in the context of metallurgy and other scientific disciplines. However, the true picture of grain growth is still controversial, even for the simplest (or ‘ideal’) case. This problem can be addressed only by large-scale numerical simulation. Here, we analyze ideal grain growth via ultra-large-scale phase-field simulations on a supercomputer for elucidating the corresponding authentic statistical behaviors. The performed simulations are more than ten times larger in time and space than the ones previously considered as the largest; this computational scale gives a strong indication of the achievement of true steady-state growth with statistically sufficient number of grains. Moreover, we provide a comprehensive theoretical description of ideal grain growth behaviors correctly quantified by the present simulations. Our findings provide conclusive knowledge on ideal grain growth, establishing a platform for studying more realistic growth processes.
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