Compression of carbon nanotubes filled with C60, CH4, or Ne: Predictions from molecular dynamics simulations

Boris Ni; Susan B. Sinnott; Paul T. Mikulski; Judith A. Harrison

Compression of carbon nanotubes filled with C₆₀, CH₄, or Ne: Predictions from molecular dynamics simulations

Boris Ni, Susan B. Sinnott, Paul T. Mikulski, Judith A. Harrison

Materials Science and Engineering

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Abstract

The effect of filling carbon nanotubes (CNT) with C₆₀, CH₄ or Ne on their compressibility was investigated. Molecular dynamics simulations using reactive empirical bond order (REBO) and adaptive intermolecular REBO potentials were used for the analysis. The buckling force of filled CNT could be larger than that of empty CNT depending on the density of the filling material. Results showed that buckling force of empty CNT depended on temperature and filling of CNT disrupted the temperature effect.

Original language	English (US)
Article number	205505
Pages (from-to)	2055051-2055054
Number of pages	4
Journal	Physical Review Letters
Volume	88
Issue number	20
State	Published - May 20 2002

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

Cite this

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abstract = "The effect of filling carbon nanotubes (CNT) with C60, CH4 or Ne on their compressibility was investigated. Molecular dynamics simulations using reactive empirical bond order (REBO) and adaptive intermolecular REBO potentials were used for the analysis. The buckling force of filled CNT could be larger than that of empty CNT depending on the density of the filling material. Results showed that buckling force of empty CNT depended on temperature and filling of CNT disrupted the temperature effect.",

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AU - Harrison, Judith A.

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AB - The effect of filling carbon nanotubes (CNT) with C60, CH4 or Ne on their compressibility was investigated. Molecular dynamics simulations using reactive empirical bond order (REBO) and adaptive intermolecular REBO potentials were used for the analysis. The buckling force of filled CNT could be larger than that of empty CNT depending on the density of the filling material. Results showed that buckling force of empty CNT depended on temperature and filling of CNT disrupted the temperature effect.

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Compression of carbon nanotubes filled with C₆₀, CH₄, or Ne: Predictions from molecular dynamics simulations

Abstract

All Science Journal Classification (ASJC) codes

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