화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2019년 봄 (04/10 ~ 04/12, 부산컨벤션센터(BEXCO))
권호 44권 1호
발표분야 기능성 고분자
제목 A multiscale computational approach for photo-mechanics of liquid crystalline polymer with diverse morphologies
초록 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.
저자 조맹효
소속 서울대
키워드 photo-responsive polymer; azobenzene; multiscale simulation
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