A multiscale computational approach for photo-mechanics of liquid crystalline polymer with diverse morphologies
발표자
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초록
내용
Azobenzene-containing liquid crystalline polymer (LCP) can exhibit photo-responsive deformation, which is induced by the photo-isomerization. The photo-mechanical deformation of this novel functional polymer can be designed by controlling initial phase (smectic, nematic, and etc.) and polymer morphology. In this lecture, a predictive multiscale computational approach for complex deformation of the photo-responsive polymers will be introduced. The density functional theory (DFT) calculations predict the photo-chemical reaction kinetics with respect to the light condition. Coarse-grained molecular dynamics (CG MD) simulation can provide a relationship between the photo-isomerization ratio and polymeric shape. The results of the microscale analysis are combined with nonlinear finite element analysis (FEA) to observe large deformations.