Atom based grain extraction and measurement of geometric properties
Atom based grain extraction and measurement of geometric properties
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DOI：
10.1088/1361-651x/aaa635
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发表时间：
2017-11
影响因子：
1.8
通讯作者：
Gabriel Martine La Boissonière;Rustum Choksi
中科院分区：
文献类型：
--
作者：
Gabriel Martine La Boissonière;Rustum Choksi
本文介绍了一种精确、完备、自动化的原子数值算法来描述二维相场晶体（PFC）模拟中的晶粒分布。我们比较的方法与手分割和已知的测试颗粒分布表明，该算法是能够提取颗粒和测量其面积，周长和其他几何特性具有较高的精度。四个输入参数必须由用户设置，并描述了它们对结果的影响。该方法目前被调整为从六方晶格制度的PFC模拟中提取数据，但该框架可以扩展到更一般的问题。
We introduce an accurate, self-contained and automatic atom based numerical algorithm to characterize grain distributions in two dimensional Phase Field Crystal (PFC) simulations. We compare the method with hand segmented and known test grain distributions to show that the algorithm is able to extract grains and measure their area, perimeter and other geometric properties with high accuracy. Four input parameters must be set by the user and their influence on the results is described. The method is currently tuned to extract data from PFC simulations in the hexagonal lattice regime but the framework may be extended to more general problems.