相关论文: Fracture resistance of zigzag single walled carbon…

While CNTs are found to have ultra high stiffness and strength, an enormous scatter is also observed in available laboratory results. This paper studies the effects of randomly distributed Stone Wales (SW or 5 7 7 5) defects on the…

The Order (N) Tight Binding Molecular Dynamics (TBMD) algorithms applied to simulate the tensile elongations of short (2-2.5 nm) armchair and zigzag Single Walled Carbon Nanotubes (SWCNTs) without bond breakings or defect formation.…

This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile loading using an O(N) tight binding molecular dynamics (TBMD)…

The mechanical stability of open single wall carbon nanotubes (SWCNT) under axial stress (compression and tension) and twist has been re-examined in a search of specific tube-length and load scaling. SWCNT with different chiralities and…

The intrinsic mechanical strength of single-walled carbon nanotubes (SWNTs) within the diameter range of 0.3-0.8 nm has been studied based on ab initio density functional theory calculations. In contrast to predicting "smaller is stronger…

AFM manipulation was used to controllably stretch individual metallic single-walled carbon nanotubes (SWNTs). We have found that SWNTs can sustain elongations as great as 30% without breaking. Scanned gate microscopy and transport…

Several data sets of electrical breakdown in air of single-wall carbon nanotubes (SWNTs) on insulating substrates are collected and analyzed. A universal scaling of the Joule breakdown power with nanotube length is found, which appears…

Recently experiments showed that nodal structural defects are readily formed in the synthesis of single-walled carbon nanotubes (SWNTs) and consequently, SWNTs are likely to deviate from well-defined seamless tubular structures. Here, using…

Strain rate and temperature dependence of the tensile strength of single-walled carbon nanotubes has been investigated with molecular dynamics simulations. The tensile failure or yield strain is found to be strongly dependent on the…

Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…

Fracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here…

Single-wall carbon nanotubes (SWNTs) are best known in their hollow cylindrical shapes, but the ground state of large-diameter tubes actually corresponds to a collapsed dumbbell-like structure, where the opposite sides of the nanotube wall…

The strain energies in straight and bent single-walled carbon nanotubes (SWNTs) are calculated by taking account of the total energy of all the occupied band electrons. The obtained results are in good agreement with previous theoretical…

The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…

The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle…

Results of the bond lengths for various chiralities of single-wall carbon carbon nanotubes (SWNTs) (armchair, zigzag and chiral) are obtained. We use modified helical and rotational symmetries to describe the structure of SWNTs and Tersoff…

We calculate the thermoelectric power (or thermopower) of many semiconducting single wall carbon nanotubes (s-SWNTs) within a diameter range 0.5-1.5 nm by using the Boltzmann transport formalism combined with an extended tight-binding…

We investigate dynamic fracture of heterogeneous materials experimentally by measuring displacement fields as a rupture propagates through a periodic array of obstacles of controlled fracture energy. Our measurements demonstrate the…

Temperature dependence of electrical resistance of single-walled carbon nanotube (SWCNTs)/epoxy nanocomposites, which is characterized by a temperature coefficient of resistance (TCR), is experimentally investigated. In the existing…

Structure transformation by heat treatment in single-walled carbon nanotubes (SWCNT) is investigated using molecular dynamics simulation. The critical temperature for the collapse of pure SWCNT is as high as 4655 K due to strong covalent…