Understanding size and strain induced variabilities in thermal conductivity of carbon nanotubes: a molecular dynamics study
Sushan Nakarmi, Vinu Unnikrishnan
Abstract
Carbon nanotubes (CNTs) have shown excellent thermal conduction capabilities and are ideal for thermal management in miniature nano-electronic devices and composite systems. As we go down the length scale, the intensive properties such as thermal conductivity are no longer a material property and the influence of size (length and diameter), defect, and strain state on the thermal conductivity becomes significant. An accurate understanding of the effect of these parameters on the thermal conductivity of nanotubes is necessary to understand and develop efficient nanotube systems with desired thermal characteristics. In this work, we examine the effect of size and strain states on the longitudinal thermal conductivity of single walled carbon nanotubes (SWCNT) using reverse non-equilibrium molecular dynamic simulation. A statistical approach involving parametric study is also adopted covering a wide range of nanotube lengths and diameters. This is followed by a comparative study of phonon density of states of nanotubes in pristine and altered configurations.