Identification of structure in condensed matter with the topological cluster classification

Alex Malins, Stephen R. Williams, Jens Eggers, C. Patrick Royall

Research output: Contribution to journalArticle (Academic Journal)peer-review

77 Citations (Scopus)

Abstract

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 l'or a number of monatomic and binary simple liquids with w ≤ 13 particles. We detail a modified Voronoi bond detection method that optimizes the cluster detection. The method to identify each cluster is outlined, and a tesi example of Lennard-Jones liquid and crystal phases is considered and critically examined.

Original languageEnglish
Article number234506
JournalJournal of Chemical Physics
Volume139
Issue number23
DOIs
Publication statusPublished - 2013

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