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Proceedings Paper

Carbon nanotubes: formation and computer simulation
Author(s): Alexander I. Melker; Dimitri A. Kornilov; Sergei N. Romanov; Nadya A. Izotova
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Paper Abstract

In this contribution, we report on a study of the growth of carbon nanotubes. A key factor in molecular dynamics modeling is the choice of interatomic potential. Ab initio molecular dynamics requires extensive computer resources, so that is outside the scope of most complex systems. We have developed simpler molecular dynamics model of charges at bonds which takes into account the electronic and atomic degrees of freedom and which can be implemented using a personal computer. Our approach has the possibility of studying the excited states formed by electronic transitions. The fundamental differnece is that previously one considered only an atomic subsystem whereas now we have investigated both subsystems, atomic and electronic, simultaneously. Our approach was applied to computer simulation of carbon fullerenes and in these paper we introduce results of research formation of nanotubes.

Paper Details

Date Published: 10 October 2003
PDF: 5 pages
Proc. SPIE 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (10 October 2003); doi: 10.1117/12.517942
Show Author Affiliations
Alexander I. Melker, St. Petersburg State Technical Univ. (Russia)
Dimitri A. Kornilov, St. Petersburg State Technical Univ. (Russia)
Sergei N. Romanov, St. Petersburg State Technical Univ. (Russia)
Nadya A. Izotova, St. Petersburg State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 5127:
Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering
Alexander I. Melker, Editor(s)

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