A molecular dynamics study of the effects of the inclusion of dopants on ablation in polymethyl methacrylate

Patrick F. Conforti, Manish Prasad, Barbara Jane Garrison

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Molecular dynamics simulations are used to elucidate mechanisms of ablation in dopant-polymer systems. In one set of simulations, a uniform distribution of thermal absorbers are added to a polymethyl methacrylate substrate and are excited. Chemical decomposition occurs in the regions near the absorbers. Ejection of large pieces of substrate then follows the thermo-chemical breakdown of material. In another set of simulations, an absorbing cluster is embedded in the polymethyl methacrylate substrate at a depth of 50 or 250 Å. Only the particles comprising the cluster are excited during the laser pulse. Ejection of material is initiated upon the fracture of the cluster and the cleavage of the surrounding polymer bonds with little chemical damage during the process. These two mechanisms of ejection suggest different pathways of ablation in doped polymer materials.

Original languageEnglish (US)
Pages (from-to)6002-6008
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume10
Issue number39
DOIs
StatePublished - Oct 6 2008

Fingerprint

Polymethyl Methacrylate
Ablation
polymethyl methacrylate
ejection
ablation
Molecular dynamics
Polymers
Doping (additives)
inclusions
molecular dynamics
absorbers
polymers
Substrates
simulation
cleavage
Laser pulses
breakdown
damage
Decomposition
decomposition

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Conforti, Patrick F. ; Prasad, Manish ; Garrison, Barbara Jane. / A molecular dynamics study of the effects of the inclusion of dopants on ablation in polymethyl methacrylate. In: Physical Chemistry Chemical Physics. 2008 ; Vol. 10, No. 39. pp. 6002-6008.
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A molecular dynamics study of the effects of the inclusion of dopants on ablation in polymethyl methacrylate. / Conforti, Patrick F.; Prasad, Manish; Garrison, Barbara Jane.

In: Physical Chemistry Chemical Physics, Vol. 10, No. 39, 06.10.2008, p. 6002-6008.

Research output: Contribution to journalArticle

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