An optimized cross linked network model to simulate the linear elastic material response of a smart polymer
This article presents a novel approach to model the mechanical response of smart polymeric materials. A cyclobutane based mechanophore, named "smart particle" in this article, is embedded in an epoxy polymer matrix to form the self sensing smart material. A spring bead model is developed based on the results from molecular dynamics simulation at the nanoscale to represent bond clusters of a smart polymer. The spring bead network model is developed through parametric studies and mechanical equivalence optimization to represent the microstructure of the material. A statistical network model is introduced, which is capable of bridging the high accuracy molecular dynamics model at the nanoscale and the computationally efficient finite element model at the macroscale. A comparison between experimental and simulation results shows that the multiscale model can capture global mechanical response and local material properties.