Bending behavior of double-walled carbon nanotubes with sp3 interwall bonds

Abstract

The bending behavior of double-walled carbon nanotubes (DWCNTs) with sp 3 interwall bonding is investigated by using molecular dynamics simulations. The presence of sp 3 interwall bonding is shown to have a significant influence on the bending properties of DWCNTs and the effects are strongly dependent on the sp 3 distribution density as well as temperature and geometry of DWCNTs. The adverse initial perturbation dominates at a low distribution density and thereby making the DWCNTs more susceptible to bending instability. However, the stiffening effect of sp 3 interwall bonding is triggered after a sufficiently large distribution density is reached and one can expect the bending rigidity of the DWCNTs to improve substantially thereafter with increasing distribution density.

Buckling of Carbon Nanotubes: A State of the Art Review

“…For instance, it may cause semiconductor-metal transition [ 136 , 137 ], optical response change [ 138 ], and magnetic moment quenching [ 139 ] in nanotubes. From a structural perspective, the radial collapse can give rise to interwall sp bonding between adjacent concentric walls [ 140 , 141 ], which may increase nanotube stiffness and therefore be effective for high-strength reinforced composites [ 142 , 143 , 144 , 145 ].…”

“…cent concentric walls [131,132], which may increase nanotube stiffness and therefore be effective for high-strength reinforced composites [133][134][135][136].…”

Cyclic Buckling Characterization of an Individual MWCNT Using Quantitative In Situ TEM Axial Compression

“…Such conditions can switch the C–C bond configuration, from in-plane sp 2 into a tetrahedral sp 3 C–C bond, between two adjacent layers ( Figure 5 a), and vice versa. Normally, the van-der-Waals interactions between the walls of the CNT allow them to slide against each other, but as irradiation increases the formation of covalent bonds between the walls, this substantially increases the shear resistance to sliding, which increases the shear modulus [ 53 , 56 , 57 ]. The presence of sp 3 bonds also improves the buckling resistance to axial loading by facilitating mechanical participation of the inner walls in the MWCNT, allowing the transfer of load to the inner shells [ 53 , 55 , 57 ].…”

On the atomistic energetics of carbon nanotube collapse from AIREBO potential

“…From the physics perspective, the significance of nanotube collapse lies in that it may cause semiconductor-metal transition [29,30], optical response change [31], magnetic moment quenching [32], as well as interwall sp 3 bonding between adjacent walls [33][34][35][36][37][38]. Furthermore, nanotube collapse is expected to provide a way of synthesizing closed-edged bilayer graphene nanoribbons [39,40], which hold promise as building blocks in high-performance nanoelectronics because of the fascinating mechanical [19,41,42] and electrical properties [40,43].…”