Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation
FANG Te-Hua1, JIAN Sheng-Rui2, CHUU Der-San2
1Department of Mechanical Engineering, Southern Taiwan University of Technology, Tainan 710
2Institute and Department of Electrophysics, National Chiao Tung
University, Hsinchu 300
Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation
FANG Te-Hua1;JIAN Sheng-Rui2;CHUU Der-San2
1Department of Mechanical Engineering, Southern Taiwan University of Technology, Tainan 710
2Institute and Department of Electrophysics, National Chiao Tung
University, Hsinchu 300
Abstract： Mechanical characteristics of a suspended (10,10) single-walled carbon nanotube (SWCNT) during atomic force microscopy (AFM) nanoindentation are investigated at different temperatures by molecular dynamics simulations. The results indicate that the Young modulus of the (10,10) SWCNT under temperatures of 300-600 K is 1.2-1.3 TPa. As the temperature increases, the Young modulus of the SWCNT increases, but the axial strain of the SWCNT decreases. The strain-induced spontaneous formation of the Stone-Wales defects and the rippled behaviour under inhomogeneous stress are studied. The rippled behaviour of the SWCNT is enhanced with the increasing axial strain. The adhesive phenomenon between the probe and the nanotube and the elastic recovery of the nanotube during the retraction are also investigated.
FANG Te-Hua;JIAN Sheng-Rui;CHUU Der-San. Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation[J]. 中国物理快报, 2004, 21(6): 1117-1119.
FANG Te-Hua, JIAN Sheng-Rui, CHUU Der-San. Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation. Chin. Phys. Lett., 2004, 21(6): 1117-1119.
2004, Vol. 21 
