Modification of carbon nanotube-polystyrene matrix composites through polyatomic-ion beam deposition: Predictions from molecular dynamics simulations

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

Research output: Contribution to journalArticlepeer-review

41 Scopus citations

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 - Aug 2003

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Engineering(all)

Fingerprint Dive into the research topics of 'Modification of carbon nanotube-polystyrene matrix composites through polyatomic-ion beam deposition: Predictions from molecular dynamics simulations'. Together they form a unique fingerprint.

Cite this