A parameter-free, solid-angle based, nearest-neighbor algorithm
A parameter-free, solid-angle based, nearest-neighbor algorithm
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DOI：
10.1063/1.4729313
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发表时间：
2012-06-21
影响因子：
4.4
通讯作者：
Frenkel, Daan
中科院分区：
文献类型：
--
作者：
van Meel, Jacobus A.;Filion, Laura;Frenkel, Daan
我们提出了一个无参数的算法识别最近的邻居。该算法是非常容易使用的，并具有一些优势，现有的算法来确定最近的邻居。这种基于立体角的最近邻算法（SANN）将立体角赋予每个可能的邻居，并通过立体角的总和为4 π的要求来确定截止半径。该算法可用于分析3D图像，无论是从实验还是理论，并且由于该算法具有较低的计算成本，因此也可以在模拟中“即时”使用。在本文中，我们描述了SANN算法，讨论其性能，并通过分析其在碳原子，Lennard-Jones粒子和硬球系统的体相以及在具有液晶和液-气界面的Lennard-Jones系统中的行为，将其与固定距离截断算法和Voronoi构造进行比较。(C)2012年美国物理学会。[http：//dx.doi.org/10.1063/1.4729313]
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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729313]