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Identification of structure in condensed matter with the topological cluster classification
Open accessAbstract
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 ⩽ 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 test example of Lennard-Jones liquid and crystal phases is considered and critically examined.
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Citations
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
The role of local structure in dynamical arrest
Royall, C. P., & Williams, S. R. (2015) · Physics Reports · doi:10.1016/j.physrep.2014.11.004 · Cited by 473
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Metadata
- Authors
- Malins, A., Williams, S. R., Eggers, J., & Royall, C. P.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2013-12-19
- Volume
- 139
- Issue
- 23
- Pages
- 234506-234506
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2084855057
- Cited by
- 182
- References
- 0
- FWCI
- 4.66
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Malins, A., Williams, S. R., Eggers, J., & Royall, C. P. (2013). Identification of structure in condensed matter with the topological cluster classification. The Journal of Chemical Physics. https://doi.org/10.1063/1.4832897
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