Paper Title:

Molecular Dynamics Simulation of the Buckling Behavior of Boron Nitride Nanotubes under Uniaxial Compressive Loading

Periodical Defect and Diffusion Forum (Volumes 297 - 301)
Main Theme Diffusion in Solids and Liquids V
Edited by Andreas Öchsner, Graeme E. Murch, Ali Shokuhfar and João M.P.Q. Delgado
Pages 984-989
DOI 10.4028/www.scientific.net/DDF.297-301.984
Citation S. Ebrahimi-Nejad et al., 2010, Defect and Diffusion Forum, 297-301, 984
Online since April 2010
Authors S. Ebrahimi-Nejad, Ali Shokuhfar, A. Zare-Shahabadi
Keywords Boron Nitride, Buckling, Molecular Dynamic (MD), Nanotube, Uniaxial Compression
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Boron Nitride nanotubes (BNNTs) together with carbon nanotubes (CNTs) have attracted the wide attention of the scientific community and have been considered as promising materials due to their unique structural and physical properties. In this paper, the behavior of BNNTs of different diameters under compressive loading has been studied through molecular dynamic (MD) simulations. We have used a Lennard-Jones pair potential to characterize the interactions between non-bonded atoms and harmonic potentials for bond stretching and bond angle vibrations. Results of the MD simulations determine the critical buckling loads of the BNNTs of various diameters under uniaxial compression, and indicate that for the simulated BNNTs of length L = 6 nm, the critical buckling loads increase by increasing the nanotube diameters.

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