NanoCap: A framework for generating capped carbon nanotubes and fullerenes
NanoCap provides both libraries and a standalone application for the construction of capped nanotubes of arbitrary chirality and fullerenes of any radius. Structures are generated by constructing a set of optimal dual graph topologies which are subsequently optimised using a carbon interatomic poten...
| Main Authors: | , |
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| Format: | Journal Article |
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Elsevier BV
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/39633 |
| _version_ | 1848755644178366464 |
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| author | Robinson, Marc Marks, Nigel |
| author_facet | Robinson, Marc Marks, Nigel |
| author_sort | Robinson, Marc |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | NanoCap provides both libraries and a standalone application for the construction of capped nanotubes of arbitrary chirality and fullerenes of any radius. Structures are generated by constructing a set of optimal dual graph topologies which are subsequently optimised using a carbon interatomic potential. Combining this approach with a GUI featuring 3D rendering capabilities allows for the rapid inspection of physically sensible structures which can be used as input for molecular simulation. |
| first_indexed | 2025-11-14T08:59:35Z |
| format | Journal Article |
| id | curtin-20.500.11937-39633 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:59:35Z |
| publishDate | 2014 |
| publisher | Elsevier BV |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-396332019-02-19T04:27:52Z NanoCap: A framework for generating capped carbon nanotubes and fullerenes Robinson, Marc Marks, Nigel Fullerenes Nanotubes Modelling NanoCap provides both libraries and a standalone application for the construction of capped nanotubes of arbitrary chirality and fullerenes of any radius. Structures are generated by constructing a set of optimal dual graph topologies which are subsequently optimised using a carbon interatomic potential. Combining this approach with a GUI featuring 3D rendering capabilities allows for the rapid inspection of physically sensible structures which can be used as input for molecular simulation. 2014 Journal Article http://hdl.handle.net/20.500.11937/39633 10.1016/j.cpc.2014.05.029 Elsevier BV fulltext |
| spellingShingle | Fullerenes Nanotubes Modelling Robinson, Marc Marks, Nigel NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title | NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title_full | NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title_fullStr | NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title_full_unstemmed | NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title_short | NanoCap: A framework for generating capped carbon nanotubes and fullerenes |
| title_sort | nanocap: a framework for generating capped carbon nanotubes and fullerenes |
| topic | Fullerenes Nanotubes Modelling |
| url | http://hdl.handle.net/20.500.11937/39633 |