| The PI/hybrid inorganic nanoparticle materials have excellent mechanics, electricity, optics and thermodynamic, and become foreland domain of materials science research. At present, experimental methods have been mostly used to study film of inorganic nanoparticle Al2O3 and SiO2 hybrid PI at home and abroad, which needs a lot of manpower and material resource, and investigative cost is high. The computer simulated methods have been made to predict energy composition, assembled structure and properties, and XRD etc, which redounds to instruct molecular design on the base of atom and molecule, and reduce experiment periods and improve efficiency, and save cost. In this paper, it has an important theoretic significance and practical future to study structure and properties of inorganic nanoparticle Al2O3 and SiO2 hybrid PI film by using Materials Studio 3.0 with experimental analytical methods.The structure of Kapton's doping PI film has been studied by means of XRD and SAXS, and the results show that PI is a kind of amorphous structure and inorganic nano-hybrid PI film has Al2O3 phase, and its diffraction peaks indicates that Al2O3 nanoparticle has a good crystal and the size is small, which results in diffraction peaks broad of Al2O3 phase. The analysis of SAXS and fractal indicate that kapton's doping PI film has the well spatial self-similarity and is in accord with the diffusion-limited aggregation (DLA), and it is surface fractal and anisotropy. The microstructure of Kapton's doping PI film has been observed using TEM, which shows that Al2O3 nanoparticles are sphericity and the size is close to 3nm in accord with the convolute radius calculated by SAXS.Eight packaging models of PI have been designed by MS 3.0. The results of simlation show that the final density of PI packaging models is almost same and reduces 10% than the first; The cohesive density and solution parameters are close to theoretic value of PI; The parameters of cell are almost same and the... |
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