对于二维网格,连续的奇拉距离是连续的
Matthew J Bright1, Andrew I Cooper1, Vitaliy A Kurlin1
1Computer Science Department and Materials Innovation Factory, University of Liverpool, Liverpool, UK.
Chirality
|June 21, 2023
概括
2D网格中的奇拉性现在是一个连续的属性,而不仅仅是二进制的. 新的距离指标量化了高对称度的偏差,分析了数百万个现实世界的晶体结构.
科学领域:
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
- 几何几何学 几何几何学
背景情况:
- 周期格子中的奇拉性传统上被视为二进制,开/关属性.
- 最近的工作参数化了二维 (2D) 格子类作为使用地理样式坐标的连续空间.
- 四个非斜面的Bravais类代表了这个连续空间内的奇点子空间.
研究的目的:
- 为了不断量化网格偏差较高对称邻居.
- 为了分析2D网格的新开发的G-奇拉距离.
- 将这些指标应用于真实的二维材料和晶体结构的大数据集.
主要方法:
- 在连续空间中对2D格子类的参数化.
- 开发和应用实值距离度量,满足度量公理.
- 来自剑桥结构数据库的数百万个二维格子的分析.
主要成果:
- 从较高对称度的格子偏差可以使用实值距离连续测量.
- 新的G-奇拉距离为网格奇拉性提供了定量衡量.
- 该研究分析了来自不同材料和晶体结构的数百万个二维格子.
结论:
- 在二维格子中的奇拉性可以被视为连续变量,超越传统的二进制分类.
- 定量距离指标提供了一个强大的工具来分析晶格结构中的微妙变化.
- 这些发现对理解和分类复杂的二维材料有影响.
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