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Carbon Nanotubes under Bending Strain
| Content Provider | Semantic Scholar |
|---|---|
| Author | Huhtala, Merja Kuronen, Antti Kaski, Kimmo |
| Copyright Year | 2004 |
| Abstract | Bending induced deformations in single walled carbon nanotubes with zigzag and armchair chirality have been studied computationally using a classical molecular dynamics simulation method. In this the interatomic forces have been described with Brenner’s empirical model potential. The results given by this classical model have been assessed by letting the most critical, i.e. the most deformed part, of the nanotube further relax by using a dynamical tight binding simulation method. We find that the empirical potential based approach and the tight binding method reproduce similar deformation patterns when the deformation remains relatively small but at higher levels of deformation the results differ significantly. These comparative simulations indicate that graphene interlayer interaction is an important factor in the behavior of deformed nanotubes. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://aaltodoc.aalto.fi/bitstream/handle/123456789/2498/article3.pdf?isAllowed=y&sequence=4 |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Bending - Changing basic body position Buckling Carbon Dioxide Concentrate Dosage Form Decompression Sickness Graphene Molecular Dynamics Musculoskeletal Diseases Nanotubes Nanotubes, Carbon Regular Language description for XML Simulation Statistical potential Tight binding |
| Content Type | Text |
| Resource Type | Article |
