Journal :   Asian Journal of Research in Chemistry

Volume No. :   5

Issue No. :  4

Year :  2012

Pages :   500-503

ISSN Print :  0974-4169

ISSN Online :  0974-4150


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Studies of Thermal Conductivity in Carbon Nanotubes Using Simulation



Address:   Sunil H. Ganatra*, Sneha D. Khobragade, Anushree S. Ujjankar, Chudaman D. Pourkar
Department of Chemistry, Institute of Science, R. T. Road, Nagpur – 440001, M.S. India
*Corresponding Author
DOI No:

ABSTRACT:
The Nano Heat flow tool allows users to explore the time evolution of kinetic and potential energy among the vibrational modes of a carbon nanotube over the course of a molecular dynamics (MD) simulation. It is possible to observe the drop of vibrational energy through the modes of the system as a non-equilibrium population of phonons is dissipated towards thermal equilibrium, and thus gives insight into the basic sources of damping and dissipation within nanoscale objects. Molecular Dynamics Simulation for Heat Flow in C(6,0), C(6,3) and C(6,6) carbon nanotubes were studied at 289.15 K using high performance parallel processing computers. It is reported that the selected nanotubes i.e. C(6,0), C(6,3) and C(6,6) shows the thermal conductivity at various frequencies. The surprise results for C(6,0) and C(6,6) where the frequency is highly selective and give single peak. Whereas, in case of C(6,3) various frequency peaks are reported and spread in wide spectrum.
KEYWORDS:
Carbon nanotubes, Heat Flow, Thermal conductivity, Molecular dynamics.
Cite:
Sunil H. Ganatra, Sneha D. Khobragade, Anushree S. Ujjankar, Chudaman D. Pourkar. Studies of Thermal Conductivity in Carbon Nanotubes Using Simulation. Asian J. Research Chem. 5(4): April 2012; Page 500-503.
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