A molecular dynamics study of the variations in the elastic properties of single-walled carbon nanotubes with tube radius, length and chirality. (1st January 2012)

• Record Type: Journal Article
• Authors: Tahreen, Nabila; Masud, A.K.M.
• Is Part Of: International journal of nano and biomaterials. Volume 4:Number 1(2012)
• Page Start: 21
• Page End: 32
• Publication Date: 2012-01-01
• Subjects: carbon nanotube -- CNT -- molecular dynamics simulation -- elastic constant -- Young's modulus -- COMPASS force-field; Nanostructured materials -- Periodicals; Nanotechnology -- Periodicals; Biomedical materials -- Periodicals; 620.505
• Languages: English
• ISSNs: 1752-8933

Abstract

Carbon nanotube (CNT) is promising to revolutionise several fields in material science and is a major component of nanotechnology. In this study, molecular dynamics simulation is used to investigate the elastic properties of single-walled carbon nanotubes. Comprehensive numerical calculations are carried out for different armchair and zigzag carbon nanotubes with various geometric dimensions to assess the effects of tube radius, tube length and tube chirality on the elastic properties of single-walled carbon nanotubes (SWCNTs). The results show that, the axial Young's modulus of both armchair and zigzag SWCNTs decreases with increasing tube radius which is also in good agreement with experimental observation. The results also reveal that, the value of the axial Young's modulus of the SWCNTs is independent of the tube length and tube chirality.