Title : Investigations of Thermal Properties of Carbon Nanotubes Using Ramen Spectroscopy and Molecular Dynamics Simulations
Single-walled carbon nanotubes are cylindrical tubes formed from covalently bonded carbon atoms and are described mathematically by performing a rolling operation on the honeycomb planar lattice of a single graphite layer. In the current study, we have examined closely the thermal expansion properties of these quasi one-dimensional objects using experimental Raman spectroscopy and Molecular Dynamics simulations. The Raman measurements have been performed employing a Thermo Scientific DXR spectrometer and a heated cell over a range of temperatures (27-200 deg C), while the Molecular Dynamics simulations utilize the powerful and versatile software package - Large-scale Atomic Molecular Massively Parallel Simulator (LAMMPS). Intriguing results from both experimental measurements and simulation studies help to shed new light on the thermal properties of carbon nanotubes and have important ramifications for their use in electronic devices.