TY - JOUR
T1 - Photochemical fragmentation processes in laser ablation of organic solids
AU - Yingling, Yaroslava G.
AU - Zhigilei, Leonid V.
AU - Garrison, Barbara J.
N1 - Funding Information:
This work was supported by the United States Office of Naval Research through the Medical Free Electron Laser program. The computational support was provided by the National Science Foundation through the MRI Program, the IBM through the Selected University Research Program and the Center for Academic Computing at Penn State University.
PY - 2001/6
Y1 - 2001/6
N2 - Studies on ultraviolet (UV) laser ablation of molecular solids have received considerable attention due to its proven and potential applications. Despite its active practical use the mechanisms of laser ablation are still being studied and debated. One crucial mechanistic discussion is on the relative importance of direct photodissociation of chemical bonds versus thermal ejection following rapid conversion of light energy into heat in the ablation processes. It is generally believed that these two processes are coupled in UV ablation resulting in difficulty in analyzing the relative importance of the two mechanisms. In the simulations presented here the breathing sphere model is enhanced allowing the photon absorption event to break a bond in the molecule and then have subsequent abstraction and recombination reactions. The initial system to model is chlorobenzene. Chlorobenzene is chosen because of simplicity of its fragmentation, entailing exclusively scission of the carbon-chlorine bond to yield phenyl and chlorine radicals. The results from the simulations allow us to study the photochemical events and their coupling with the thermal processes.
AB - Studies on ultraviolet (UV) laser ablation of molecular solids have received considerable attention due to its proven and potential applications. Despite its active practical use the mechanisms of laser ablation are still being studied and debated. One crucial mechanistic discussion is on the relative importance of direct photodissociation of chemical bonds versus thermal ejection following rapid conversion of light energy into heat in the ablation processes. It is generally believed that these two processes are coupled in UV ablation resulting in difficulty in analyzing the relative importance of the two mechanisms. In the simulations presented here the breathing sphere model is enhanced allowing the photon absorption event to break a bond in the molecule and then have subsequent abstraction and recombination reactions. The initial system to model is chlorobenzene. Chlorobenzene is chosen because of simplicity of its fragmentation, entailing exclusively scission of the carbon-chlorine bond to yield phenyl and chlorine radicals. The results from the simulations allow us to study the photochemical events and their coupling with the thermal processes.
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U2 - 10.1016/S0168-583X(01)00414-1
DO - 10.1016/S0168-583X(01)00414-1
M3 - Conference article
AN - SCOPUS:0035363492
SN - 0168-583X
VL - 180
SP - 171
EP - 175
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
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 -