Determination of Young's modulus of carbon nanotube using molecular dynamics (MDSS) simulation
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Authors
Oh, Jung Joo
Subjects
Advisors
Kwon, Young W.
Luscomb, James H.
Date of Issue
2003-12
Date
Publisher
Monterey, California. Naval Postgraduate School
Language
Abstract
Molecular dynamics simulations were performed to determine the Young's modulus of the single-walled carbon nanotubes (SWNT) and bamboo structural carbon nanoutbes (BSNT) models generated from the basic structure characteristics of graphite. The empirical Tersoff-Brenner potential and freestanding thermal vibration methods proposed by Krishnan et al. were used to determine the interatomic forces and displacements of carbon atoms at room temperature 300 K. The calculated average Young's modulus of SWNT and BSNT model were Y = 1.424 and 0.604 TPa, respectively. In particular, the calculated Y value of the SWNT model is in good agreement with the previous measurements. Although, the evaluated Y value of the BSNT model, which represents heterogeneous nanotubes, was less than the pure the SWNT model, it still has strong and stiff mechanical properties comparing with other general bulk materials such as hardened steel (210 GPa). CNTs hold a promising future for the variety of potential applications in the nanotechnology field.
Type
Thesis
Description
Series/Report No
Department
Applied Physics
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NPS Report Number
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Format
xiv, 59 p. : ill. (some col.) ;
Citation
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Approved for public release; distribution is unlimited.
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Copyright is reserved by the copyright owner.