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arXiv 2003.08879physics.comp-phcond-mat.mtrl-sci
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再论公共邻域分析与中心对称参数

Revisiting the Common Neighbour Analysis and the Centrosymmetry Parameter

Peter M Larsen

摘要:

我们回顾了两个标准的方法,结构分类的模拟结晶相,共同近邻分析和中心对称参数。我们探讨了它们每个常见变体的定义和实现,并研究了它们各自的故障模式和分类偏差。这两种方法提出了简单的修改,提高其鲁棒性,可解释性和适用性。我们将这些变体称为区间公共邻域分析和最小权重匹配中心对称参数。

英文摘要:

We review two standard methods for structural classification in simulations of crystalline phases, the Common Neighbour Analysis and the Centrosymmetry Parameter. We explore the definitions and implementations of each of their common variants, and investigate their respective failure modes and classification biases. Simple modifications to both methods are proposed, which improve their robustness, interpretability, and applicability. We denote these variants the Interval Common Neighbour Analysis, and the Minimum-Weight Matching Centrosymmetry Parameter.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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