Multiscale Modeling of Light Activated Shape Memory Polymer

Presented is the development of a multi-scale model predicting the material response of a light activated shape memory polymer. Rotational Isomeric State (RIS) theory is used to build a molecular scale model of the polymer chain backbone, tracking the distances between cross-links. Cross-link to cross-link distances are then used with Boltzmann statistical mechanics to predict material response, generating Young’s modulus and stress-strain relation predictions. Young’s modulus is predicted by the model to be 0.049 and 3.2 MPa for the soft and hard states of the polymer respectively. Experimentally determined properties are also presented with reported moduli of 2.0 and 11.4 MPa in the soft and hard states respectively.