Berlin 2015 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 50: P15: Polymers and Fields
CPP 50.1: Poster
Mittwoch, 18. März 2015, 10:00–13:00, Poster A
Molecular structure of azobenzene-containing systems from classical MD simulations — •Olga Guskova1, Vladimir Toshchevikov1, Jaroslav Ilnytskyi1, 2, and Marina Saphiannikova1 — 1Leibniz-Institut für Polymerforschung Dresden e. V., Theorie der Polymere, Hohe Str. 6, 01069 Dresden, Deutschland — 2National Academy of Sciences of Ukraine, Institute for Condensed Matter Physics, Svientsitskii Str. 1, 79011 Lviv, Ukraine
Azobenzene-containing side chain polymers [1,2] and molecular glasses based on propeller-like C3-symmetric azobenzene mesogenes [3] are investigated in classical molecular dynamics simulations. Two length scales are considered: (i) the molecular level with atomistic resolution, where reversible conformational changes of azobenzene chromophores upon light illumination lead to contractions/extensions of low amplitudes due to a limited size of mesogene groups, and (ii) the mesoscopic level, where light-induced molecular movements are observed over larger distances, comparable with the gyration radius of polymer chains. The influence of isomerization and orientation mechanisms on molecular structure and light-induced deformation is elucidated.
[1] J. Ilnytskyi et al., J. Chem. Phys. 135, 044901 (2011).
[2] M Saphiannikova et al., Proceedings of SPIE "Optical Materials and Biomaterials in Security and Defence Systems Technology X", 8901, 890138 (2013).
[3] N.S. Jadavalli et al., Appl. Phys. Lett. 105, 051601 (2014).