Nano- and micromechanical modeling of nanoparticle reinforced epoxy resin

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Within the research unit, a sequential multi-scale simulation for the prediction of thermo-mechanical material properties is developed, starting with particle/matrix interactions on the lowest scale (subproject 2) and considering the effects of nanoparticles on different scales up to fiber reinforced nanocomposites (subproject 5). In the first funding period, atomistic approaches, based on the Molecular Dynamic Finite Element Method (MDFEM) and continuum mechanical approaches have been combined for the calculation of the mechanical properties of nanoparticle reinforced epoxy resins, in order to contribute to component and material design as well as gain an understanding of the underlying mechanisms. In the second funding period, the focus in subproject 2 lies on the thermal and temperature-dependent mechanical properties, since the improved macroscopic shrinkage behavior is an essential target variable for the optimization of nanocomposites. Additionally, an improvement of the quality of prediction and an increasing independence of the model generation from experimental results are pursued. Therefore, methods for the generation of the chemical structure, especially concerning the particle/matrix interphase, based on fewer assumptions are developed. The focus lies on the continuous scale specific adaption and validation of the model generation, carried out via atomic force microscopy and dielectric spectroscopy results obtained from subproject 1.