Effect of cluster size in kiloelectronvolt cluster bombardment of solid benzene

Edward J. Smiley, Nicholas Winograd, Barbara Jane Garrison

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

Emission of benzene molecules by 5-keV cluster bombardment of a range of carbon projectiles from C 6H 6 to C 180 is studied by a coarse-grained molecular dynamics (MD) technique. This approach permits calculations that are not feasible using more complicated potential energy functions, particularly as the interesting physics associated with the ion impact event approaches the mesoscale. These calculations show that the highest ejection yields are associated with clusters that deposit their incident energy 15-20 Å below the surface. The highest yield for the projectiles is produced by the C 20 and C 60 projectiles. The results from the MD simulations are also compared favorably to an analytical model based on fluid dynamics to describe the energy deposition. The analytical model is then utilized to extend the range of the calculations to higher incident energies. The issue of the relative amount of chemical fragmentation and intact molecular desorption is also examined for the benzene crystal. These results show that damage accumulation at high-incident fluence should not be problematic and that it should be possible to perform molecular depth profiling via secondary ion mass spectrometry experiments. In general, the approach presented here illustrates the power of combining a simplified MD method with analytical strategies for describing a length scale that is difficult to achieve with traditional MD calculations.

Original languageEnglish (US)
Pages (from-to)494-499
Number of pages6
JournalAnalytical Chemistry
Volume79
Issue number2
DOIs
StatePublished - Jan 15 2007

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Benzene
Molecular dynamics
Projectiles
Analytical models
Potential energy functions
Depth profiling
Secondary ion mass spectrometry
Fluid dynamics
Desorption
Carbon
Deposits
Physics
Ions
Crystals
Molecules
Computer simulation
Experiments

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry

Cite this

Smiley, Edward J. ; Winograd, Nicholas ; Garrison, Barbara Jane. / Effect of cluster size in kiloelectronvolt cluster bombardment of solid benzene. In: Analytical Chemistry. 2007 ; Vol. 79, No. 2. pp. 494-499.
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Effect of cluster size in kiloelectronvolt cluster bombardment of solid benzene. / Smiley, Edward J.; Winograd, Nicholas; Garrison, Barbara Jane.

In: Analytical Chemistry, Vol. 79, No. 2, 15.01.2007, p. 494-499.

Research output: Contribution to journalArticle

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