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Elastic Properties of Boron Nitride Nanotubes and Their Comparison with Carbon Nanotubes

Santosh, Mogurampelly and Maiti, Prabal K and Sood, AK (2009) Elastic Properties of Boron Nitride Nanotubes and Their Comparison with Carbon Nanotubes. In: Journal of Nanoscience and Nanotechnology, FEB 27-29, 2008, Chennai.

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Boron Nitride Nanotubes (BNNTs) have alternating boron and nitrogen atoms in graphite like network and are strongly polar in nature due to a large charge on boron and nitrogen atoms. Hence electrostatic interactions are expected to play an important role in determining the elastic properties of BNNTs. In the absence of specific partial atomic charge information for boron and nitrogen, we have studied the elastic properties BNNTs varying the partial atomic charges on boron and nitrogen. We have computed Young modulus (Y) and Shear modulus (G) of BNNT as a function of the tube radius and number of walls using molecular mechanics calculation. Our calculation shows that Young modulus of BNNTs increases with increase in magnitude of the partial atomic charge on B and N and can be larger than the Young modulus of CNTs of same radius. This is in contrast to the earlier finding that CNTs has the largest tensile strength (PRL, 80, 4502, 1998). Shear modulus, on the other hand depends weakly on the magnitude of partial atomic charge and is less than the shear modulus of the CNT. The values obtained for Young modulus and Shear modulus are in excellent agreement with the available experimental results.

Item Type: Conference Paper
Additional Information: Copyright of this article belongs to American Scientific Publishers.
Keywords: Boron Nitride Nanotube; Young Modulus; Shear Modulus; Molecular Mechanics
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Depositing User: Users 920 not found.
Date Deposited: 08 Mar 2010 10:17
Last Modified: 08 Mar 2010 12:07
URI: http://eprints.iisc.ac.in/id/eprint/26002

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