Bayazitoglu, Yildiz2014-10-142014-11-012014-052014-01-09May 2014Toprak, Kasim. "Thermal Conductivity of Single Wall Carbon Nanotube and Copper Coaxial Nanocomposite." (2014) Diss., Rice University. <a href="https://hdl.handle.net/1911/77563">https://hdl.handle.net/1911/77563</a>.https://hdl.handle.net/1911/77563Based on non-equilibrium molecular dynamics, a model is developed to study the thermal conductivity of Single Wall Carbon Nanotube (SWCNT) inside filled with Copper (Cu), forming a coaxial composite in the form of a nanowire. The Nose-Hoover thermostat is used to maintain the opposing ends of the SWCNT-Cu nanowire at uniform temperatures of 320 K and 280 K. Firstly, the length dependent thermal conductivities are examined in vacuum using the simulated axial temperature profiles and by applying the Nose-Hoover thermostat. The effective thermal conductivity of copper nanowire is estimated based on the electrical resistance analogy. The calculations showed that the thermal conductivity of a SWCNT-Cu nanowire is up to 24% higher than that of a corresponding pure SWCNT. Secondly, the identical SWCNT-Cu nanowire is placed in water instead of vacuum. The conduction along the radial direction of this coaxial nanocomposite surrounded with water is examined. Due to its simplicity and adaptability, a simple point-charge water model is implemented. Using the Nose-Hoover thermostat, the copper core is kept at a uniform temperature as a heat source, and a circular edge layer of water is kept at a lower temperature as a heat sink in order to impose a radial temperature distribution. The temperature jump due to interface resistance at the SWCNT-water interface is found to be smaller than the temperature jump at the SWCNT-Cu interface.application/pdfengCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.Single-walled carbon nanotubesCopper nanowireMolecular dynamic simulationThermal conductivityCoaxial nanocompositeThesis2014-10-14