Statistical multiscale modeling of smart polymer materials using a spring-bead based network model

This paper presents a multiscale approach for capturing the mechanical response of smart polymer materials. A spring-bead model is developed at the microscale based on results from molecular dynamics simulation to represent a bond cluster of polymer. Through parametric studies and mechanical equivalence optimization, a statistical network model is developed to represent the microstructure of the materials at the mesoscale. The introduction of the spring-bead based network model bridges the high accuracy molecular dynamics model at the microscale and the computationally efficient finite element model at the macroscale. A comparison between experimental and simulation results shows that the multiscale model is capable of capturing global mechanical response and local material properties.