TY - JOUR
T1 - Mechanical property of carbon nanotubes with intramolecular junctions
T2 - Molecular dynamics simulations
AU - Qin, Zhao
AU - Qin, Qing Hua
AU - Feng, Xi Qiao
N1 - Funding Information:
Financial support for this work was provided by the National Natural Science Foundation of China (Grant Nos. 10525210 and 10732050). X.-Q. Feng gratefully acknowledges the support of Executive Endeavour Awards of Australia for his visit to the Australian National University.
PY - 2008/10/27
Y1 - 2008/10/27
N2 - Intramolecular junctions (IMJs) of carbon nanotubes hold a promise of potential applications in nano-electromechanical systems. However, their structure-property relation is still unclear. Using the revised second-generation Tersoff-Brenner potential, molecular dynamics simulations were performed to study the mechanical properties of single-walled to four-walled carbon nanotubes with IMJs under uniaxial tension. The dependence of deformation and failure behaviors of IMJs on the geometric parameters was examined. It was found that the rupture strength of a junction is close to that of its thinner carbon nanotube segment, and the rupture strain and Young's modulus show a significant dependence on its geometry. The simulations also revealed that the damage and rupture of multi-walled carbon nanotube junctions take place first in the innermost layer and then propagate consecutively to the outer layers. This study is helpful for optimal design and safety evaluation of IMJ-based nanoelectronics.
AB - Intramolecular junctions (IMJs) of carbon nanotubes hold a promise of potential applications in nano-electromechanical systems. However, their structure-property relation is still unclear. Using the revised second-generation Tersoff-Brenner potential, molecular dynamics simulations were performed to study the mechanical properties of single-walled to four-walled carbon nanotubes with IMJs under uniaxial tension. The dependence of deformation and failure behaviors of IMJs on the geometric parameters was examined. It was found that the rupture strength of a junction is close to that of its thinner carbon nanotube segment, and the rupture strain and Young's modulus show a significant dependence on its geometry. The simulations also revealed that the damage and rupture of multi-walled carbon nanotube junctions take place first in the innermost layer and then propagate consecutively to the outer layers. This study is helpful for optimal design and safety evaluation of IMJ-based nanoelectronics.
KW - Carbon nanotube
KW - Intramolecular junction
KW - Mechanical property
KW - Molecular dynamics simulation
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U2 - 10.1016/j.physleta.2008.09.010
DO - 10.1016/j.physleta.2008.09.010
M3 - Article
AN - SCOPUS:53149148839
SN - 0375-9601
VL - 372
SP - 6661
EP - 6666
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 44
ER -