Torsional fracture of carbon nanotube bundles: a reactive molecular dynamics study

Abstract

Carbon nanotubes individually show excellent mechanical properties, being one of the strongest known materials. However, when assembled into bundles, their strength drops dramatically. It still limit the understanding of their...

Estimation of the Band Gap of Carbon Nanotube Bundles

“…As a prototype, we chose the bundle 20 nm long with both ends fixed, shown in Figure 19. This construction method is referred to by Pereira et al [14]. According to the dynamic simulation conducted [14], we think that the structural changes of SWCNTs in CNTBs after torsion at a small angle (0-0.6 (rad/nm)) can be represented by Figure 20.…”

“…This construction method is referred to by Pereira et al [14]. According to the dynamic simulation conducted [14], we think that the structural changes of SWCNTs in CNTBs after torsion at a small angle (0-0.6 (rad/nm)) can be represented by Figure 20. After torsioning the CNTBs, the length of the outer SWCNTs became the length of the helix of a cylinder with radius…”

“…As a prototype, we chose the bundle 20 nm long with both ends fixed, shown in Figure 19. This construction method is referred to by Pereira et al [14].…”

“…, where "D" is the diameter of the tube and "d" is the separation distance. The tensile strength of the outer SWCNTs is defined as According to the dynamic simulation conducted [14], we think that the structural changes of SWCNTs in CNTBs after torsion at a small angle (0-0.6 (rad/nm)) can be represented by Figure 20. After torsioning the CNTBs, the length of the outer SWCNTs became the length of the helix of a cylinder with radius R = D + d, where "D" is the diameter of the tube and "d" is the separation distance.…”

“…The conductivity of SWCNTs at equilibrium is determined by one pair of parameters (n,m) of the structural configuration, namely, the chiral index. Recently, CNTBs have attracted researchers' interests, and some efforts have been made regarding the mechanical resilience [12,13] and fracture patterns [14] under torsional strain. Singh [15] used CNTBs to build hybrid CMOS (complementary metal-oxide semiconductor)-compatible devices, among which the conductivity of CNTBs is one of the key issues to study.…”