Carbon nanotubes: formation and computer simulation

Alexander I. Melker; Dimitri A. Kornilov; Sergei N. Romanov; Nadya A. Izotova

doi:10.1117/12.517942

10 October 2003 Carbon nanotubes: formation and computer simulation

Alexander I. Melker, Dimitri A. Kornilov, Sergei N. Romanov, Nadya A. Izotova

Proceedings Volume 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2003) https://doi.org/10.1117/12.517942
Event: Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2002, St. Petersburg, Russian Federation

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.

Citation Download Citation

Alexander I. Melker, Dimitri A. Kornilov, Sergei N. Romanov, and Nadya A. Izotova "Carbon nanotubes: formation and computer simulation", Proc. SPIE 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (10 October 2003); https://doi.org/10.1117/12.517942

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available