Compression of Carbon Nanotubes Filled with [Formula presented], [Formula presented], or Ne: Predictions from Molecular Dynamics Simulations

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

Research output: Contribution to journalArticle

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Abstract

The effect of filling nanotubes with [Formula presented], [Formula presented], or Ne on the mechanical properties of the nanotubes is examined. The approach is classical molecular dynamics using the reactive empirical bond order (REBO) and the adaptive intermolecular REBO potentials. The simulations predict that the buckling force of filled nanotubes can be larger than that of empty nanotubes, and the magnitude of the increase depends on the density of the filling material. In addition, these simulations demonstrate that the buckling force of empty nanotubes depends on temperature. Filling the nanotube disrupts this temperature effect so that it is no longer present in some cases.

Original languageEnglish (US)
Article number205505
Number of pages1
JournalPhysical Review Letters
Volume88
Issue number20
DOIs
StatePublished - Jan 1 2002

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nanotubes
carbon nanotubes
molecular dynamics
predictions
simulation
buckling
temperature effects
mechanical properties
temperature

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

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Compression of Carbon Nanotubes Filled with [Formula presented], [Formula presented], or Ne : Predictions from Molecular Dynamics Simulations. / Ni, Boris; Sinnott, Susan B.; Mikulski, Paul T.; Harrison, Judith A.

In: Physical Review Letters, Vol. 88, No. 20, 205505, 01.01.2002.

Research output: Contribution to journalArticle

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