A multiscale modeling procedure was presented to design thermosetting resins and products of polymer composites. Heat curing and cross-linking reaction steps were considered with activation energy and heat generation via molecular dynamics simulation of BIOVIA Materials Studio. The mechanical properties and adhesive strength for fillers were also estimated, and were assigned to SIMULIA Abaqus. Using the Abaqus fracture analysis capability, the crack propagation behavior, including matrix-failure and interface-failure, was investigated.
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