TY - JOUR
T1 - Molecular dynamics simulations of laser disintegration of amorphous aerosol particles with spatially nonuniform absorption
AU - Schoolcraft, Tracy A.
AU - Constable, Gregory S.
AU - Jackson, Bryan
AU - Zhigilei, Leonid V.
AU - Garrison, Barbara J.
N1 - Funding Information:
T.A.S. would like to thank the Shippensburg University Professional Development Committee and the State System of Higher Education Faculty Professional Development Committee as well as the National Science Foundation for providing travel funds, student wages and summer faculty stipends in order for this work to be performed. Partial support of this work was provided by the United States Office of Naval Research through the Medical Free Electron Laser Program and the National Science Foundation through the Chemistry Division. The computational support was provided by IBM through the Selected University Research Program, the National Science Foundation through the MRI Program, and the Center for Academic Computing at Penn State University.
PY - 2001/6
Y1 - 2001/6
N2 - 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.
AB - 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.
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U2 - 10.1016/S0168-583X(01)00424-4
DO - 10.1016/S0168-583X(01)00424-4
M3 - Conference article
AN - SCOPUS:0035365372
VL - 180
SP - 245
EP - 250
JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
SN - 0168-583X
IS - 1-4
T2 - Computer Simulation of Radiation Effects in Solids Section B: Beam Interactions with Materials and Atoms
Y2 - 24 July 2000 through 28 July 2000
ER -