Mechanical properties of carbon nanotubes: molecular dynamics study

Dimitri A. Kornilov; Alexander I. Melker

doi:10.1117/12.555440

5 April 2004 Mechanical properties of carbon nanotubes: molecular dynamics study

Dimitri A. Kornilov, Alexander I. Melker

Proceedings Volume 5400, Seventh International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2004) https://doi.org/10.1117/12.555440
Event: 2003 Chapter books, 2003, Bellingham, WA, United States

Abstract

In this contribution, we report on a study of the mechanical properties of carbon nanotubes. We have developed a rather simple 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 and to investigate both subsystems, atomic and electronic, simultaneously. We observed structure changes of carbon nanotubes during deformation as well as stress-strain diagrams at low and high temperatures.

Citation Download Citation

Dimitri A. Kornilov and Alexander I. Melker "Mechanical properties of carbon nanotubes: molecular dynamics study", Proc. SPIE 5400, Seventh International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (5 April 2004); https://doi.org/10.1117/12.555440

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