Evaluation of Yield Surfaces of Epoxy Polymers Considering the Influence of Crosslinking Ratio: A Molecular Dynamics Study

This study focuses on investigating the influence of epoxy polymer crosslinking density, a crucial aspect in composite material matrices, on the yield surface using molecular dynamics simulations. Our approach involved generating epoxy models with diverse crosslinking densities and subjecting them to both uniaxial and multiaxial deformation simulations, accounting for the elasto-plastic deformation behaviors. Through this, we obtained key mechanical parameters including elastic modulus, yield point, and strain hardening coefficient, all correlated with crosslinking conversion ratios. A particularly noteworthy finding is the rapid expansion of the yield surface in the biaxial compression region with increasing crosslinking ratios, compared to the uniaxial tensile region. This unique behavior led to observable yield surface variations, indicating a significant pressure-dependent relationship of the yield surface considering plastic strain and crosslinking conversion ratio. These results contribute to a deeper understanding of the complex interplay between crosslinking density and plastic mechanical response, especially in the aspect of multiaxial deformation behaviors.