A parameter-free, solid-angle based, nearest-neighbor algorithm
| Autor: | van Meel, J.A., Filion, L.C., Valeriani, C., Frenkel, D., Soft Condensed Matter and Biophysics, Sub Soft Condensed Matter, Dep Natuurkunde, Dep Scheikunde |
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| Rok vydání: | 2012 |
| Předmět: |
010304 chemical physics
Computer science On the fly Solid angle General Physics and Astronomy FOS: Physical sciences Radius Hard spheres Condensed Matter - Soft Condensed Matter 01 natural sciences k-nearest neighbors algorithm Identification (information) 0103 physical sciences Cutoff Soft Condensed Matter (cond-mat.soft) Physical and Theoretical Chemistry 010306 general physics Voronoi diagram Algorithm ComputingMethodologies_COMPUTERGRAPHICS |
| Zdroj: | Journal of Chemical Physics, 136(23), 234107/1. American Institute of Physics The Journal of Chemical Physics |
| ISSN: | 0021-9606 |
| DOI: | 10.48550/arxiv.1202.5281 |
| Popis: | We propose a parameter-free algorithm for the identification of nearest neighbors. The algorithm is very easy to use and has a number of advantages over existing algorithms to identify nearest- neighbors. This solid-angle based nearest-neighbor algorithm (SANN) attributes to each possible neighbor a solid angle and determines the cutoff radius by the requirement that the sum of the solid angles is 4{\pi}. The algorithm can be used to analyze 3D images, both from experiments as well as theory, and as the algorithm has a low computational cost, it can also be used "on the fly" in simulations. In this paper, we describe the SANN algorithm, discuss its properties, and compare it to both a fixed-distance cutoff algorithm and to a Voronoi construction by analyzing its behavior in bulk phases of systems of carbon atoms, Lennard-Jones particles and hard spheres as well as in Lennard-Jones systems with liquid-crystal and liquid-vapor interfaces. |
| Databáze: | OpenAIRE |
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