Dresden 2026 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 14: French-German Session: Simulation Methods and Modeling of Soft Matter II
CPP 14.6: Vortrag
Montag, 9. März 2026, 18:30–18:45, ZEU/LICH
Atomistic modeling of azopolymers: light-induced deformation — •Dmitry Ryndyk1,2, Olga Guskova1, and Marina Saphiannikova1,2 — 1Leibnitz Institute of Polymer Research Dresden, Germany — 2Technische Universität Dresden, Germany
In our recent study [1], we employ, for the first time, a fully atomistic force-field approach to model light-induced deformations in side-chain azopolymers. To mimic sample illumination, we introduce an orientation potential that reorients the azo chromophores perpendicular to the light polarization direction. This strategy enables us to capture both the microscopic details of chromophore behavior and the collective, anisotropic response of the polymer matrix. The atomistic simulations show a clear correlation between chromophore reorientation and sample contraction, as well as between backbone alignment and sample elongation. The separation of time scales between these two processes is controlled by the relative distance to the glass-transition temperature. Furthermore, the simulations elucidate a role of the flexible spacer in transferring the light-induced torque to the polymer backbone.
[1] D.A. Ryndyk, O. Guskova, M. Saphiannikova, Light-induced deformation of side-chain azo-polymer: Insights from atomistic modeling, arXiv:2511.19787 (2025)
Keywords: atomistic, modeling, azo-polymer, photodeformation