Jacobus A. van Meel, Laura Filion, Chantal Valeriani, Daan Frenkel
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 analyse 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.
View original:
http://arxiv.org/abs/1202.5281
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