Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids
Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids
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DOI：
10.1103/physrevmaterials.2.103603
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发表时间：
2018-06
影响因子：
3.4
通讯作者：
Petri Hirvonen;Gabriel Martine La Boissoniere;Z. Fan;C. Achim;N. Provatas;K. Elder;T. Ala‐Nissila
中科院分区：
文献类型：
--
作者：
Petri Hirvonen;Gabriel Martine La Boissoniere;Z. Fan;C. Achim;N. Provatas;K. Elder;T. Ala‐Nissila
虽然缺陷固体晶体材料的微观结构对其物理性能有很大的影响，但有效和准确地确定给定的多晶微结构仍然是一个挑战。在这篇文章中，我们提出了一种具有高度普适性和可靠性的变分方法，以实现这一目标的二维晶体和准晶材料。该方法成功地利用各种大规模缺陷固体系统进行了基准测试和优化，包括周期结构和准晶对称性，以量化其微观结构特征，例如，晶粒度和晶格取向偏差分布。我们发现，许多微结构性质表现出与基本对称性无关的普遍特征。
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper, we present a highly generalizable and reliable variational method to achieve this goal for two-dimensional crystalline and quasicrystalline materials. The method is benchmarked and optimized successfully using a variety of large-scale systems of defected solids, including periodic structures and quasicrystalline symmetries to quantify their microstructural characteristics, e.g., grain size and lattice misorientation distributions. We find that many microstructural properties show universal features independent of the underlying symmetries.