Universität zu Köln

Haeberle, Jan, Sperl, Matthias and Born, Philip (2019). Distinguishing noisy crystalline structures using bond orientational order parameters. Eur. Phys. J. E, 42 (11). NEW YORK: SPRINGER. ISSN 1292-895X

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Abstract

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.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Haeberle, Jan UNSPECIFIED UNSPECIFIED UNSPECIFIED Sperl, Matthias UNSPECIFIED UNSPECIFIED UNSPECIFIED Born, Philip UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-128425
DOI:	10.1140/epje/i2019-11915-7
Journal or Publication Title:	Eur. Phys. J. E
Volume:	42
Number:	11
Date:	2019
Publisher:	SPRINGER
Place of Publication:	NEW YORK
ISSN:	1292-895X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language NUCLEATION; LIQUIDS Multiple languages Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Polymer Science Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/12842