Molecular dynamics simulations of Ar+-organic polymer interactions

Joseph J. Végh, David B. Graves

Research output: Contribution to journalArticlepeer-review

18 Scopus citations


MD simulations of ion-organic styrene-containing polymer interactions are reviewed and compared to experiment. We report results for argon ion bombardment of PS, PαMS and P4MS. All three polymers exhibit the formation of a similar, highly cross-linking, dehydrogenated near-surface damaged layer at steady state, but small changes in the structure of the polymer (P4MS and PaMS are isomers) can lead to drastic changes in the initial transient sputtering of the material. We correlate this behavior to differences in radiation chemistry (P4MS and PS are cross-linking while PaMS is a chain scission polymer), and examine how the behavior in MD may relate to larger-scale experimental results, such as roughness formation. A picture is presented.

Original languageEnglish (US)
Pages (from-to)320-334
Number of pages15
JournalPlasma Processes and Polymers
Issue number5
StatePublished - May 15 2009
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Polymers and Plastics


  • Methylstyrenes
  • Molecular dynamics
  • Photoresists
  • Plasma etching
  • Polystyrene (PS)


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