Modification of carbon nanotube-polystyrene matrix composites through polyatomic-ion beam deposition

Predictions from molecular dynamics simulations

Y. Hu, I. Jang, Susan B. Sinnott

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

Classical molecular dynamics simulations are used to study polyatomic-ion beam deposition on pristine polystyrene (PS) substrates and carbon nanotube-PS matrix composite substrates. The ion beam consists of 20 C3F5 + ions and the forces are calculated with a many-body, reactive empirical bond-order potential for hydrocarbons and fluorocarbons. The simulations predict that the ion beam deposition process will lead to covalent bond formation between the nanotube and the PS matrix. In addition, the responses of the composites to the ion-beam deposition are significantly different from the response of the pristine PS substrate. The simulations detail the atomic-scale mechanisms that are responsible for these differences.

Original languageEnglish (US)
Pages (from-to)1663-1669
Number of pages7
JournalComposites Science and Technology
Volume63
Issue number11
DOIs
StatePublished - Jan 1 2003

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Carbon Nanotubes
Polystyrenes
Ion beams
Molecular dynamics
Carbon nanotubes
Computer simulation
Composite materials
Substrates
Fluorocarbons
Covalent bonds
Hydrocarbons
Nanotubes
Ions

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Engineering(all)

Cite this

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