On the unzipping mechanisms of carbon nanotubes: Insights from reactive molecular dynamics simulations

Unzipping carbon nanotubes (CNTs) is considered one of the most promising approaches for the controlled and large-scale production of graphene nanoribbons (GNR). These structures are considered of great importance for the development of nanoelectronics because of its dimensions and intrinsic nonzero band gap value. Despite many years of investigations some details on the dynamics of the CNT fracture/unzipping processes remain unclear. In this work we have investigated some of these process through molecular dynamics simulations using reactive force fields (ReaxFF), as implemented in the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code. We considered multi-walled CNTs of different dimensions and chiralities and under induced mechanical stretching. Our preliminary results show that the unzipping mechanisms are highly dependent on CNT chirality. Well-defined and distinct fracture patterns were observed for the different chiralities. Armchair CNTs favor the creation of GNRs with well-defined armchair edges, while zigzag and chiral ones produce GNRs with less defined and defective edges. © 2012 Materials Research Society.

A comparison of two nonlinear damping mechanisms in a vibration isolator

The vibration transmissibility characteristics of a single-degree-of- freedom (SDOF) passive vibration isolation system with different nonlinear dampers are investigated in this paper. In one configuration, the damper is assumed to be linear and viscous, and is connected to the mass so that it is perpendicular to the spring (horizontal damper). The vibration is in the direction of the spring. The second configuration is one in which the damper is in parallel with the spring but the damping force is proportional to the cube of the relative velocity across the damper (cubic damping). Both configurations are studied for small amplitudes of excitation, when some analysis can be conducted based on analytical expressions, and for large amplitudes of excitation, where the analysis is based on numerical simulations. It is found that the two nonlinear systems can outperform the linear system when force transmissibility is considered. However, for displacement transmissibility, the system with the horizontal damper exhibits some desirable properties, but the system with cubic damping does not. © 2012 Elsevier Ltd.