Distinguishing noisy crystalline structures using bond orientational order parameters

被引:4
|
作者
Haeberle, Jan [1 ]
Sperl, Matthias [1 ,2 ]
Born, Philip [1 ]
机构
[1] Deutsch Zentrum Luft & Raumfahrt, Inst Mat Phys Weltraum, D-51170 Cologne, Germany
[2] Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany
来源
EUROPEAN PHYSICAL JOURNAL E | 2019年 / 42卷 / 11期
关键词
NUCLEATION; LIQUIDS;
D O I
10.1140/epje/i2019-11915-7
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The bond orientational order parameters originally introduced by Steinhardt et al. (Phys. Rev. B 28, 784 (1983)) are a common tool for local structure characterization in soft matter studies. Recently, Mickel et al. (J. Chem. Phys. 138, 044501 (2013)) highlighted problems of the bond orientational order parameters due to the ambiguity of the underlying neighbourhood definition. Here we show the difficulties to distinguish common structures like FCC- and BCC-based structures with the suggested neighbourhood definitions when noise is introduced. We propose a simple improvement to the neighbourhood definition that results in robust and continuous bond orientational order parameters with which we can accurately distinguish crystal structures even when noise is present.
引用
收藏
页数:7
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