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Information × Registration Number 2114U001400, Article popup.category Стаття Title popup.author popup.publication 01-01-2014 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/37201 popup.publisher Sumy State University Description Nanocomposites comprising NPs in a polymer are observed to display significantly enhanced mechanical properties compared to the polymer alone. NP stands for nanoparticle. The NPs are thought to enhance the polymer properties by forming an interphase, but the mechanism is not well understood. Rationally, the design of nanocomposites cannot proceed without knowing the properties of the interphase. Stress-strain curves are required, but conventional tensile tests are not possible because the interphase is nanoscopic. Currently, MD has been proposed as the method for deriving the properties of the interphase. MD stands for molecular dynamics. But MD simulations based on Lennard-Jones or even ab-initio potentials can never be shown to duplicate the stress-strain curve of the interphase that is unknown. In the alternative, QED is proposed to convert the thermal energy in the NPs during processing to EUV radiation that cross-links the polymer in the interphase to enhance mechanical properties. QED stands for quantum electrodynamics and EUV for extreme ultraviolet. Characterization of the interphase therefore proceeds by obtaining stress-strain curves of macroscopic polymer specimens irradiated at the EUV levels expected during thermal processing of the nanocomposite. Only after MD simulations verify force-fields give the experimental stress-strain data are MD simulations of the NPs and interphase performed. popup.nrat_date 2025-05-12 Close