Multiscale Modeling of Thermoplastic Elastomers for Enhanced Blast Properties through Microstructural Design

1. Atomic-scale models will be implemented to provide the physical properties of TPs, as the inputs of the target function. 2. Coarse-grained models will be carried out to predict the microphase separation as well as the micro-structural evolution. A phenomenological constitutive model will be developed to incorporate the main findings of the molecular study. 3. Applications with newly developed CG potentials will be conducted by considering the effect of microphase separation, high pressure and high strain rate, volume fraction of hard domains as well as interfacial properties near PMMA and glass. 4. Based on the CG models, FEA simulation can be performed aiming at capturing the macroscopic response of the polyurea. 5. Experiments will be performed to calibrate and validate the constitutive model. Experimental work from other groups for the high strain rate behavior will be used. 6. Full scale simulations of the Carderock penetration experiments will be run with the new model and comparison of predictions with experimental results will be made.