Multiscale Modeling for Virtual Manufacturing of Thermoset Composites
Sagar Shah, Sagar Patil, Prathamesh Deshpande, Aaron S. Krieg, Khatereh Kashmari, Hashim Al Mahmud, Julie A. King, Gregory M. Odegard, Marianna Maiarù
Abstract
A novel multi-scale Integrated Computational Material Engineering (ICME) approach to predict the evolution of residual stress during curing of thermoset composites is presented. Molecular Dynamics (MD) simulations and Finite Element Analysis (FEA) are used at their respective length scales to determine the cure induced effect on thermoset fiber-reinforced composites. First, curing is simulated at the molecular level to predict the density (shrinkage), Young’s modulus, and yield strength as a function of the degree of cure. Second, the correlation between polymer properties and tensile transverse strength is obtained by modeling the residual stress build-up at the micro-scale. Preliminary results are presented for EPON 862 and EPON 828 epoxy systems at the nano-scale. A theoretical framework for future work is outlined.