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https://physrep.ff.bg.ac.rs/handle/123456789/668
Title: | Structure and stability of coiled carbon nanotubes |
Authors: | Milošević, Ivanka Popović, Zoran P. Damnjanović, Milan |
Keywords: | Bond order potential;Cohesive energy;Helically coiled carbon nanotubes;Line group symmetry;Model;Molecular dynamics;Topological coordinate method |
Issue Date: | 1-Jan-2012 |
Journal: | Physica Status Solidi (B) Basic Research |
Abstract: | Helically coiled carbon nanotubes are modeled using topological coordinate method which is based on the toroidal triply connected graphs, containing pentagons, hexagons, and heptagons. Their regular incorporation into the hexagonal carbon net induces transition from the straight to the helical geometry. Relaxation of the structural model is performed in two steps: Firstly, molecular dynamics based... |
URI: | https://physrep.ff.bg.ac.rs/handle/123456789/668 |
ISSN: | 0370-1972 |
DOI: | 10.1002/pssb.201200048 |
Appears in Collections: | Journal Article |
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