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arxiv: 1307.5517 · v2 · pith:HAKX4GNYnew · submitted 2013-07-21 · ❄️ cond-mat.soft · cond-mat.stat-mech

Identification of structure in condensed matter with the topological cluster classification

classification ❄️ cond-mat.soft cond-mat.stat-mech
keywords clusterbondclassificationdetectionmethodtopologicalalgorithmbinary
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We describe the topological cluster classification (TCC) algorithm. The TCC detects local structures with bond topologies similar to isolated clusters which minimise the potential energy for a number of monatomic and binary simple liquids with $m\leq13$ particles. We detail a modified Voronoi bond detection method that optimizes the cluster detection. The method to identify each cluster is outlined, and a test example of Lennard-Jones liquid and crystal phases is considered and critically examined.

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