Sharif Digital Repository

The van der Walls interaction between a carbon nanotube sheet (CNTS) and a rare gas atom, is studied using both atomistic and continuum approaches. We present analytical expressions for the van der Waals energy of continuous nanotubes interacting with a rare gas atom. It is found that the continuum approach does not properly treat the effect of atomistic configurations on the energy surfaces. The energy barriers are small as compared to the thermal energy, which implies the free motion above the CNTS in heights about one nanometer. In contrast to the energy surface of a graphene sheet, the honeycomb lattice structure in the energy surface of a CNTS is imperceivable. Defects alter the energy... 

Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy...