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Using molecular dynamics simulations, we show that a probing tip using a short capped single-walled carbon nanotube is able to capture the frictional characteristics and faithfully resolve the graphene lattice through the measurements of oscillatory lateral force or normal force. By averaging the oscillatory lateral force and normal force along the tip moving path, we extract the friction coefficient...
Molecular dynamics simulations are performed to study the effect of the presence of the Stone-Thrower-Wales defect on the stability of carbon nanorings. It is found that nanoring stability can be enhanced or worsened depending on the defect position and configuration as a result of the coupling between the defect strain field and the nanoring bending strain field. The nanoring stability deteriorates...
An energetic analysis was performed to study the interactions of C 60 molecules encapsulated in carbon nanotubes. Both direct interaction between C 60 molecules through van der Waals forces and indirect interaction between encapsulated C 60 molecules through the elastic deformation of their host carbon nanotubes were considered. For C 60 s encapsulated in a (9,9) nanotube,...
Present work investigates the triaxial compression behavior of face-centered cubic C 60 and C 80 solids using molecular dynamics simulation. Second-generation empirical bond-order potential governs the atomic interactions within a C 60 or C 80 molecule, whereas van der Waals potential dominates the interactions between C 60 or C 80 molecules. The equilibrium...
Molecular dynamics simulations of oscillatory behaviors of double-walled carbon nanotube-based oscillators are performed. The second-generation empirical bond-order potential is used for the atomic interactions within a wall, and a registry-dependent and four different registry-independent van der Waals potentials are used for the atomic interactions between walls. It is found that the frequencies...
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