Highly energetic collisions of Xe with fullerene clusters

Dulma Nugawela, Steven J. Stuart, Jacek Jakowski

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

One subset of the fullerene activities is collision experiments using high energetic inert gases with fullerene clusters. We report on the formation of fullerene oligomers upto (C60)m, m=2-12 following the collisions of 200 keV and 400 keV Xe with (C60)55 fullerene clusters using classical reactive dy-namics. A preference for C60+n (n=1-4) fragments was ob-served after the collision. The sequence of peaks detected in the range C105-C122 after 1 ns from the collision is compa-rable with the experimental results. According to the post collisional dynamics, a dimer formed with one cross-link be-tween two fullerenes led to a peanut shaped molecule after 25 ns and a linear trimer has turned into a carbon nanotube like structure after 43 ns. At the ns time scale, more or-ganized carbon molecules as well as big amorphous carbon chunks also remained as collisional products.

Original languageEnglish
Title of host publicationProceedings of the XSEDE 2014 Conference
Subtitle of host publicationEngaging Communities
PublisherAssociation for Computing Machinery
ISBN (Print)9781450328937
DOIs
StatePublished - 2014
Externally publishedYes
Event2014 Annual Conference on Extreme Science and Engineering Discovery Environment, XSEDE 2014 - Atlanta, GA, United States
Duration: Jul 13 2014Jul 18 2014

Publication series

NameACM International Conference Proceeding Series

Conference

Conference2014 Annual Conference on Extreme Science and Engineering Discovery Environment, XSEDE 2014
Country/TerritoryUnited States
CityAtlanta, GA
Period07/13/1407/18/14

Keywords

  • Carbon nanostructures
  • Collisions
  • Experi-mental
  • Fullerene clusters
  • Molecular dynamics

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