Theoretical Investigation of Nanotube as a Molecular Tool

H.4
Log Number: 17 Abstract Submitted to the

NANOTUBE-99 Workshop:

Theoretical Investigation of Nanotube as a Molecular Tool

Istvan Laszlo

Department of Theoretical Physics, Technical University of Budapest, H-1521 Budapest, Hungary
Contact e-mail: laszlo@phy.bme.hu

The deformation of graphite surface and carbon nanotube under nanotube tip was examined with the help of a molecular mechanics calculation. We have used Brenner potential for the covalent interactions. The tip-surface and interlayer interactions were described by Lennard-Jones potential. The 21 nm long tip contained 1680 carbon atoms and had the form of a (5,5) nanotube closed by two halves of a C₆₀ molecule at the ends.

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