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Representation of single-axis grain boundary functions

机译:单轴晶界函数的表示

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The ability to describe continuous functions on the space of grain boundary parameters is crucial for investigating the functional relations between the structure and the properties of interfaces, in analogy to the way that continuous distribution functions for orientations (i.e. texture information) have been used extensively in the optimization of polycrystalline microstructures. Here we develop a rigorous framework for the description of continuous functions for a subset of the five-parameter grain boundary space, called the "single-axis grain boundary" space. This space consists of all the boundary plane orientations for misorientations confined to a single axis, and is relevant to the method of presenting boundary plane statistics in widespread current use. We establish the topological equivalence between the single-axis grain boundary space and the 3-sphere, which in turn enables the use of hyperspherical harmonics as basis functions to construct continuous functions. These functions enable the representation of statistical distributions and the construction of functional forms for the structure-property relationships of grain boundaries.
机译:在晶界参数空间上描述连续函数的能力对于研究结构和界面性质之间的功能关系至关重要,类似于取向的连续分布函数(即织构信息)在多晶微观结构优化中被广泛使用的方式。在这里,我们开发了一个严格的框架来描述五参数晶界空间子集的连续函数,称为“单轴晶界”空间。该空间由局限于单个轴的错向的所有边界平面方向组成,并且与当前广泛使用的表示边界平面统计的方法相关。我们建立了单轴晶界空间和三球体之间的拓扑等价性,从而能够使用超球谐波作为基函数来构造连续函数。这些函数能够表示统计分布,并构建晶界结构-性质关系的函数形式。

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