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

fYear

2009

fDate

10-12 Dec. 2009

Firstpage

1

Lastpage

3

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;

fLanguage

English

Publisher

ieee

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

Type

conf

DOI

10.1109/ICTONMW.2009.5385600

Filename

5385600