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Molecular Dynamics Simulation of Thermal Conductivity of Carbon Nanotubes

Jeremy Tisdale
Department of Materials Science & Engineering, University of Tennessee

This page shows an interactive structure of a (10,10) Signle Walled Carbon Nanotube used for molecular dynamics simulations. This specific structure was designed to simulate thermal conductivity of the Single Walled CNT as a function of length of the nanotube and temperature. The Green-Kubo method was used in order to calculate the thermal conductivity in the simulations. The data from this simulation was collected to reproduce the data found in the reference below.1 Temperature dependent studies were then done to show how thermal conductivity of CNTs act as a function of temperature. It was shown that a maximum value of thermal conductivity was found at room temperature.

Interactive Structure


Color Legend:

  • All atoms in structure are carbon

References

1. Che, J., Cagin, T., & Goddard, W. A., III. (2000). Thermal conductivity of carbon nanotubes. Nanotechnology, 11, 65-69.

posted: March 2016.
updated: March 2016.