Point process microstructural model of metallic thin films with implications for coarsening
Point process microstructural model of metallic thin films with implications for coarsening
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DOI：
10.1038/s41524-023-00986-w
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发表时间：
2023-02
影响因子：
9.7
通讯作者：
J. Rickman;K. Barmak;Y. Epshteyn;C. Liu
中科院分区：
文献类型：
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作者：
J. Rickman;K. Barmak;Y. Epshteyn;C. Liu
我们开发了一种薄膜微观结构模型，该模型以随机、标记点过程的形式表示结构标记（即，具有柱状晶粒的薄膜结构的二维投影中的三重连接点），并以晶界网络的形式表示微观结构本身。这种表示的优点是，它可以方便地应用于从晶体取向映射获得的微观结构的表征，从而产生相互作用的三重结的整体图像，同时提供用实验数据为晶粒生长模型提供信息的结果。更具体地说，计算出的量（例如对、部分对和标记相关函数）以及微观结构互信息（熵），突出显示了决定微观结构演化的有效三联结相互作用。为了验证这种方法，我们通过晶体取向映射来表征铝薄膜的微观结构，并制定了一种类似于经典密度泛函理论的方法来描述体现三结相互作用的晶粒生长。
We develop a thin-film microstructural model that represents structural markers (i.e., triple junctions in the two-dimensional projections of the structure of films with columnar grains) in terms of a stochastic, marked point process and the microstructure itself in terms of a grain-boundary network. The advantage of this representation is that it is conveniently applicable to the characterization of microstructures obtained from crystal orientation mapping, leading to a picture of an ensemble of interacting triple junctions, while providing results that inform grain-growth models with experimental data. More specifically, calculated quantities such as pair, partial pair and mark correlation functions, along with the microstructural mutual information (entropy), highlight effective triple junction interactions that dictate microstructural evolution. To validate this approach, we characterize microstructures from Al thin films via crystal orientation mapping and formulate an approach, akin to classical density functional theory, to describe grain growth that embodies triple-junction interactions.