TY - JOUR
T1 - Molecular dynamics study of multi-walled carbon nanotubes under uniaxial loading
AU - Hwang, C. C.
AU - Wang, Y. C.
AU - Kuo, Q. Y.
AU - Lu, J. M.
N1 - Funding Information:
The authors acknowledge a Grant from the Taiwan National Science Council under the contract NSC 96-2221-E-492-007-MY3 and 96-2221-E-006-068.
PY - 2010/2
Y1 - 2010/2
N2 - The mechanical behavior of multi-walled carbon nanotubes (MWNTs), being fixed at both ends under uniaxial tensile loading, is investigated via the molecular dynamics (MD) simulation with the Tersoff interatomic potential. It is found that Young's modulus of the MWNTs is in the range between 0.85 and 1.16 TPa via the curvature method based on strain energy density calculations. Anharmonicity in the energy curves is observed, and it may be responsible for the time-dependent properties of the nanotubes. Moreover, the number of atomic layers that is fixed at the boundaries of the MWNTs will affect the critical strain for jumps in strain energy density vs. strain curves. In addition, the boundary conditions may affect "yielding" strength in tension. The van der Waals interaction of the double-walled carbon nanotube (DWNT) is studied to quantify its effects in terms of the chosen potential.
AB - The mechanical behavior of multi-walled carbon nanotubes (MWNTs), being fixed at both ends under uniaxial tensile loading, is investigated via the molecular dynamics (MD) simulation with the Tersoff interatomic potential. It is found that Young's modulus of the MWNTs is in the range between 0.85 and 1.16 TPa via the curvature method based on strain energy density calculations. Anharmonicity in the energy curves is observed, and it may be responsible for the time-dependent properties of the nanotubes. Moreover, the number of atomic layers that is fixed at the boundaries of the MWNTs will affect the critical strain for jumps in strain energy density vs. strain curves. In addition, the boundary conditions may affect "yielding" strength in tension. The van der Waals interaction of the double-walled carbon nanotube (DWNT) is studied to quantify its effects in terms of the chosen potential.
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U2 - 10.1016/j.physe.2009.10.064
DO - 10.1016/j.physe.2009.10.064
M3 - Article
AN - SCOPUS:77149140120
VL - 42
SP - 775
EP - 778
JO - Physica E: Low-Dimensional Systems and Nanostructures
JF - Physica E: Low-Dimensional Systems and Nanostructures
SN - 1386-9477
IS - 4
ER -