Publikation: Characterization of local structures with bond-order parameters and graphs of the nearest neighbors, a comparison
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2014
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The European Physical Journal Special Topics. 2014, 223(3), pp. 455-467. ISSN 1951-6355. eISSN 1951-6401. Available under: doi: 10.1140/epjst/e2014-02102-6
Zusammenfassung
We compare two methods for the characterization of local order in samples undergoing crystal nucleation and growth. Particles with a crystal-like surrounding need to be identified to follow the nucleation process. Both methods are based on the knowledge of the particle positions in a small volume of the sample. (i) Local bond-order parameters are used to quantify the orientation of the nearest neighbors of a particle, while (ii) the graph method determines the topological arrangement of the nearest neighbors and the bonds between them. Both methods are used to detect crystal-like particles and crystal nuclei in a supercooled fluid surrounding and to determine the structure of small crystal nuclei. The properties of these nuclei are of great interest for a deeper understanding of crystal nucleation, and they can be studied in detail in colloidal model systems that allow to follow the evolution of the nuclei with single particle resolution.
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530 Physik
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Condensed Matter Physics, Materials Science, general, Atomic, Molecular, Optical and Plasma Physics, Physics, general, Measurement Science and Instrumentation, Classical Continuum Physics
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GASSER, Urs, Florian ZIESE, Georg MARET, 2014. Characterization of local structures with bond-order parameters and graphs of the nearest neighbors, a comparison. In: The European Physical Journal Special Topics. 2014, 223(3), pp. 455-467. ISSN 1951-6355. eISSN 1951-6401. Available under: doi: 10.1140/epjst/e2014-02102-6BibTex
@article{Gasser2014Chara-27114,
year={2014},
doi={10.1140/epjst/e2014-02102-6},
title={Characterization of local structures with bond-order parameters and graphs of the nearest neighbors, a comparison},
number={3},
volume={223},
issn={1951-6355},
journal={The European Physical Journal Special Topics},
pages={455--467},
author={Gasser, Urs and Ziese, Florian and Maret, Georg}
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