English

Distinguishing noisy crystalline structures using bond orientational order parameters

Soft Condensed Matter 2019-06-20 v1

Abstract

The bond orientational order parameters originally introduced by Steinhardt \emph{et. al.} [Phys. Rev. B \textbf{28}, 784 (1983)] are a common tool for local structure characterization in soft matter studies. Recently, Mickel \emph{et. al.} [J. Chem. Phys. \textbf{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 of 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.

Cite

@article{arxiv.1906.08111,
  title  = {Distinguishing noisy crystalline structures using bond orientational order parameters},
  author = {Jan Haeberle and Matthias Sperl and Philip Born},
  journal= {arXiv preprint arXiv:1906.08111},
  year   = {2019}
}

Comments

7 pages, 5 figures

R2 v1 2026-06-23T09:58:02.949Z