Journal of Chemical Physics, Vol.119, No.13, 6789-6801, 2003
Kinetics of diffraction gratings formation in a polymer matrix containing azobenzene chromophores: Experiments and Monte Carlo simulations
The physical processes accompanying an illumination of azobenzene chromophores embedded in a polymer matrix with spatially modulated and linearly polarized light are studied experimentally and simulated using the Monte Carlo (MC) method. The MC simulations base on a simple three-channel kinetic model of trans-cis type photoisomerization cycles in azobenezene molecules. The method focus on studying the kinetics of diffraction grating recording and erasing under various conditions of illumination, light polarization and recording in the presence or absence of a background light. By modeling the "macroscopic" light diffraction efficiency one gets insight into the role played by microscopic processes (angular hole burning, angular redistribution, rotational diffusion) up to the high-temperature limit, characterized by a high mobility of polymer chains. The obtained qualitative agreement between experimental data and the modeling confirms that the main processes underlying grating recording and erasing are well identified. The experimentally observed two-exponential functional dependence of diffraction efficiency eta as function of time is well explained by the MC modeling. (C) 2003 American Institute of Physics.