Molecular dynamics simulations of laser disintegration of amorphous aerosol particles with spatially nonuniform absorption

Tracy A. Schoolcraft, Gregory S. Constable, Bryan Jackson, Leonid V. Zhigilei, Barbara J. Garrison

19 Scopus citations


A series of molecular dynamics (MD) simulations are performed in order to provide qualitative information on the mechanisms of disintegration of aerosol particles as used in aerosol mass spectrometry. Three generic types of aerosol particles are considered: strongly absorbing particles with homogeneous composition, transparent particles with absorbing inclusion, and absorbing particles with transparent inclusion. To study the effect of the mechanical properties of the aerosol material on the disintegration process, the results for crystalline (brittle) and amorphous (ductile) particles are compared. For large laser fluences, nearly complete dissociation of the absorbing material is observed, whereas the nonabsorbing portions remain fairly intact. Because large fluences can cause photofragmentation of constituent molecules, multiple pulses at low laser fluence and/or lasers with different wavelengths are recommended for the best representative sampling of multicomponent aerosol particles in laser desorption/ionization (LDI) mass spectrometry.

Original languageEnglish (US)
Pages (from-to)245-250
Number of pages6
JournalNuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Issue number1-4
Publication statusPublished - Jun 1 2001
EventComputer Simulation of Radiation Effects in Solids Section B: Beam Interactions with Materials and Atoms - State College, PA, United States
Duration: Jul 24 2000Jul 28 2000


All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Instrumentation

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