The study attempts to explore the influences of the surface effect resulting in an initial relaxed unstrained deformation and the in-layer non-bonded van der Waals (vdW) atomistic interactions on the mechanical properties of single-walled carbon nanotubes (SWCNTs) using a proposed atomistic-continuu
A continuum model for calculating the phonon density of states of single-walled carbon nanotubes
โ Scribed by Minggang Xia; Shengli Zhang; Shumin Zhao; Erhu Zhang
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 247 KB
- Volume
- 344
- Category
- Article
- ISSN
- 0921-4526
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โฆ Synopsis
Making use of the continuum model, the phonon density of states (PDOS) are calculated analytically for singlewalled carbon nanotubes (SWNT). Neglecting the interaction between twisting and longitudinal stress, the phonon dispersion relations are also determined analytically. The frequency of the breathing mode is found to be inversely proportional to r: For a รฐ10; 10ร SWNT, its resonance spectral wave number is found to be 170:76 cm ร1 ; which is consistent with experimental observation (Science 275 (1997) 187). Four acoustic modes have been analyzed and these results are found to be in good agreement with those of Saito (Phys. Rev. B 57 (1998) 4145). Our results for the PDOS agree well with experimental data (Phys. Rev. Lett. 85 (2000) 5222).
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