標題: CHARACTERIZING THE MECHANICAL PROPERTIES OF GRAPHENE AND SINGLE WALLED CARBON NANOTUBES
作者: Tzeng, S. -H.
Tsai, J. -L.
機械工程學系
Department of Mechanical Engineering
關鍵字: Graphene sheet;SWCNTs;Van der Waals interaction;Mechanical properties;Molecular dynamics simulation
公開日期: 1-十二月-2011
摘要: In this study, the mechanical properties of graphene and single walled carbon nanotubes (SWCNTs) were investigated based on molecular dynamics (MD) simulation. During the characterization of the mechanical properties, the atomistic interactions of the carbon atoms were described using the bonded and non-bonded energies. The bonded energy consists of four different interactions: Bond stretching, bond angle bending, dihedral angle torsion, and inversion. On the other hand, the non-bonded interaction between the carbon atoms within the cut-off ranges was regarded as the van der Waals (vdW) force. The effect of vdW force on the mechanical properties of graphene and SWCNTs would be mainly of concern. Simulation results indicated that the Young's modulus of the graphene with vdW force included is 15% higher than that without considering any vdW interaction. The same tendency also was observed in the armchair and zig-zag SWCNTs. Furthermore, it was revealed that the increment of moduli caused by the vdW force could be primarily attributed to the 1-4 vdW interaction. The influence of the vdW interactions on the mechanical properties of graphene and SWCNTs was then elucidated using the parallel spring concept.
URI: http://dx.doi.org/10.1017/jmech.2011.49
http://hdl.handle.net/11536/14904
ISSN: 1727-7191
DOI: 10.1017/jmech.2011.49
期刊: JOURNAL OF MECHANICS
Volume: 27
Issue: 4
起始頁: 461
結束頁: 467
顯示於類別:期刊論文


文件中的檔案:

  1. 000298321800003.pdf