COMPUTATIONAL INTERPRETATION OF SHAPE MEMORY EPOXY: PROCESSING AND ITS OPERATION

The shape forming and restoration mechanisms of shape memory epoxy originate from the molecular-scale dynamics that epoxy molecules undergo during thermomechanical processes. In this study, the microstructural changes that occur at the molecular scale caused by heat and load during the programming and operation of the epoxy network were investigated using molecular dynamics simulations. The mechanical behaviors of each molecule were analyzed by classifying it into translation, rotation, and deformation based on the classical kinematic framework. Specifically, depending on its structural properties, each molecular component was rearranged to different levels, forming local residual stresses. The principle leading to shape recovery as the subsequent thermal load breaks the equilibrium of residual stresses and resulting changes in the mechanical anisotropy of entire epoxy network were also analyzed through a subcontinuum perspective. This study has the potential to be extended to a method for designing epoxy resins that satisfy desired physical properties and shape recovery performance.