Ring structure of selected two-dimensional procrystalline lattices
Recent work has introduced the term "procrystalline" to define systems which lack translational symmetry but have an underlying high-symmetry lattice. The properties of five such two-dimensional (2D) lattices are considered in terms of the topologies of rings which may be formed from three...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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American Physical Society
2020
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| _version_ | 1826285190451822592 |
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| author | Ormrod Morley, D Goodwin, AL Wilson, M |
| author_facet | Ormrod Morley, D Goodwin, AL Wilson, M |
| author_sort | Ormrod Morley, D |
| collection | OXFORD |
| description | Recent work has introduced the term "procrystalline" to define systems which lack translational symmetry but have an underlying high-symmetry lattice. The properties of five such two-dimensional (2D) lattices are considered in terms of the topologies of rings which may be formed from three-coordinate sites only. Parent lattices with full coordination numbers of four, five, and six are considered, with configurations generated using a Monte Carlo algorithm. The different lattices are shown to generate configurations with varied ring distributions. The different constraints imposed by the underlying lattices are discussed. Ring size distributions are obtained analytically for two of the simpler lattices considered (the square and trihexagonal nets). In all cases, the ring size distributions are compared to those obtained via a maximum entropy method. The configurations are analyzed with respect to the near-universal Lemaître curve (which connects the fraction of six-membered rings with the width of the ring size distribution) and three lattices are highlighted as rare examples of systems which generate configurations which do not map onto this curve. The assortativities are considered, which contain information on the degree of ordering of different sized rings within a given distribution. All of the systems studied show systematically greater assortativities when compared to those generated using a standard bond-switching method. Comparison is also made to two series of crystalline motifs which shown distinctive behavior in terms of both the ring size distributions and the assortativities. Procrystalline lattices are therefore shown to have fundamentally different behavior to traditional disordered and crystalline systems, indicative of the partial ordering of the underlying lattices. |
| first_indexed | 2024-03-07T01:25:08Z |
| format | Journal article |
| id | oxford-uuid:91b6284b-5356-4424-9c97-0993d53d4c0c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T01:25:08Z |
| publishDate | 2020 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | oxford-uuid:91b6284b-5356-4424-9c97-0993d53d4c0c2022-03-26T23:20:35ZRing structure of selected two-dimensional procrystalline latticesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:91b6284b-5356-4424-9c97-0993d53d4c0cEnglishSymplectic ElementsAmerican Physical Society2020Ormrod Morley, DGoodwin, ALWilson, MRecent work has introduced the term "procrystalline" to define systems which lack translational symmetry but have an underlying high-symmetry lattice. The properties of five such two-dimensional (2D) lattices are considered in terms of the topologies of rings which may be formed from three-coordinate sites only. Parent lattices with full coordination numbers of four, five, and six are considered, with configurations generated using a Monte Carlo algorithm. The different lattices are shown to generate configurations with varied ring distributions. The different constraints imposed by the underlying lattices are discussed. Ring size distributions are obtained analytically for two of the simpler lattices considered (the square and trihexagonal nets). In all cases, the ring size distributions are compared to those obtained via a maximum entropy method. The configurations are analyzed with respect to the near-universal Lemaître curve (which connects the fraction of six-membered rings with the width of the ring size distribution) and three lattices are highlighted as rare examples of systems which generate configurations which do not map onto this curve. The assortativities are considered, which contain information on the degree of ordering of different sized rings within a given distribution. All of the systems studied show systematically greater assortativities when compared to those generated using a standard bond-switching method. Comparison is also made to two series of crystalline motifs which shown distinctive behavior in terms of both the ring size distributions and the assortativities. Procrystalline lattices are therefore shown to have fundamentally different behavior to traditional disordered and crystalline systems, indicative of the partial ordering of the underlying lattices. |
| spellingShingle | Ormrod Morley, D Goodwin, AL Wilson, M Ring structure of selected two-dimensional procrystalline lattices |
| title | Ring structure of selected two-dimensional procrystalline lattices |
| title_full | Ring structure of selected two-dimensional procrystalline lattices |
| title_fullStr | Ring structure of selected two-dimensional procrystalline lattices |
| title_full_unstemmed | Ring structure of selected two-dimensional procrystalline lattices |
| title_short | Ring structure of selected two-dimensional procrystalline lattices |
| title_sort | ring structure of selected two dimensional procrystalline lattices |
| work_keys_str_mv | AT ormrodmorleyd ringstructureofselectedtwodimensionalprocrystallinelattices AT goodwinal ringstructureofselectedtwodimensionalprocrystallinelattices AT wilsonm ringstructureofselectedtwodimensionalprocrystallinelattices |