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Title: Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study

Abstract

Photo-induced deformations in azobenzene-containing polymers (azo-polymers) are central to a number of applications, such as optical storage and fabrication of diffractive elements. The microscopic nature of the underlying opto-mechanical coupling is yet not clear. In this study, we address the experimental finding that the scenario of the effects depends on molecular architecture of the used azo-polymer. Typically, opposite deformations in respect to the direction of light polarization are observed for liquid crystalline and amorphous azo-polymers. In this study, we undertake molecular dynamics simulations of two different models that mimic these two types of azo-polymers. We employ hybrid force field modeling and consider only trans-isomers of azobenzene, represented as Gay-Berne sites. The effect of illumination on the orientation of the chromophores is considered on the level of orientational hole burning and emphasis is given to the resulting deformation of the polymer matrix. We reproduce deformations of opposite sign for the two models being considered here and discuss the relevant microscopic mechanisms in both cases.

Authors:
 [1];  [2];  [3]
  1. Institute for Condensed Matter Physics of National Academy of Sciences of Ukraine, 1, Svientsitskii Str., 79011 Lviv (Ukraine)
  2. Institute for Physics and Astronomy, University of Potsdam, Karl-Liebknecht-Strasse 24-25, 14476 Potsdam-Golm (Germany)
  3. Leibniz Institute of Polymer Research Dresden, Hohe Str. 6, 01069 Dresden (Germany)
Publication Date:
OSTI Identifier:
22038655
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 135; Journal Issue: 4; Other Information: (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AMORPHOUS STATE; DEFORMATION; LIQUID CRYSTALS; MOLECULAR DYNAMICS METHOD; PHOTOCHEMISTRY; POLARIZATION; POLYMERS; SIMULATION

Citation Formats

Ilnytskyi, Jaroslav M., Neher, Dieter, and Saphiannikova, Marina. Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study. United States: N. p., 2011. Web. doi:10.1063/1.3614499.
Ilnytskyi, Jaroslav M., Neher, Dieter, & Saphiannikova, Marina. Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study. United States. doi:10.1063/1.3614499.
Ilnytskyi, Jaroslav M., Neher, Dieter, and Saphiannikova, Marina. Thu . "Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study". United States. doi:10.1063/1.3614499.
@article{osti_22038655,
title = {Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study},
author = {Ilnytskyi, Jaroslav M. and Neher, Dieter and Saphiannikova, Marina},
abstractNote = {Photo-induced deformations in azobenzene-containing polymers (azo-polymers) are central to a number of applications, such as optical storage and fabrication of diffractive elements. The microscopic nature of the underlying opto-mechanical coupling is yet not clear. In this study, we address the experimental finding that the scenario of the effects depends on molecular architecture of the used azo-polymer. Typically, opposite deformations in respect to the direction of light polarization are observed for liquid crystalline and amorphous azo-polymers. In this study, we undertake molecular dynamics simulations of two different models that mimic these two types of azo-polymers. We employ hybrid force field modeling and consider only trans-isomers of azobenzene, represented as Gay-Berne sites. The effect of illumination on the orientation of the chromophores is considered on the level of orientational hole burning and emphasis is given to the resulting deformation of the polymer matrix. We reproduce deformations of opposite sign for the two models being considered here and discuss the relevant microscopic mechanisms in both cases.},
doi = {10.1063/1.3614499},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 4,
volume = 135,
place = {United States},
year = {2011},
month = {7}
}