Prediction of mechanical properties of EPON 862 (DGEBF) cross-linked with curing agent (TETA) and SiO2 nanoparticle based on materials studio

Abstract

The present study focuses on the prediction of mechanical properties of SiO2 nanocluster reinforced epoxy resin (DGEBF) cross-linked with curing agent W (TETA). The MD models of the reinforced epoxy were built using the amorphous module of Material Studio 7.0 (Accelrys Inc.). The mechanical properties of this cross-linked structure were determined using MD simulations. SiO2 qurtiz with different aspect ratios of weight percent (6%, 8% and 10%) in order to construct amorphous unit cells of SiO2-Epoxy nanocomposites. The SiO2-Epoxy nanocomposites system undergoes NPT (constant number of atoms, pressure and temperature) ensemble with applied uniform strain field during MD simulation to obtain density curve, cell size diagram and the results file.