Title :
Molecular dynamics simulation of the SRG formation in poly(methyl methacrylate) doped with dispersed red 1
Author :
Saiddine, M. ; Teboul, V. ; Nunzi, J.-M.
Author_Institution :
Lab. des Proprietes Opt. des Mater. et Applic., Univ. d´´Angers, Angers, France
Abstract :
We report large scale molecular dynamics simulations of the photoisomerization of chromophores dispersed inside a glassy polymer. We study the nonequilibrium dynamics of the polymers and of the chromophores at constant temperatures. We observe an huge increase of the diffusion coefficient of both the polymer and the chromophore when the isomerization is switched on. This result suggests a simple explanation (P. Lefin, C. Fiorini, J.M. Nunzi, Pure Appl. Opt. 7, 71 (1998)) for the mass transport and the SRG formation that appear in illuminated azo-polymers.
Keywords :
diffraction gratings; diffusion; isomerisation; molecular dynamics method; optical polymers; photochemistry; chromophores; diffusion coefficient; dispersed red 1; glassy polymer; large scale molecular dynamics simulations; mass transport; nonequilibrium dynamics; photoisomerization; poly(methyl methacrylate); surface relief gratings; Chemistry; Chromatic dispersion; Computational Intelligence Society; Glass; Large-scale systems; Optimized production technology; Physics; Polymers; Probes; Temperature;
Conference_Titel :
ICTON Mediterranean Winter Conference,2009. ICTON-MW 2009. 3rd
Conference_Location :
Angers
Print_ISBN :
978-1-4244-5745-8
Electronic_ISBN :
978-1-4244-5746-5
DOI :
10.1109/ICTONMW.2009.5385600
