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Epoxy resins are used extensively in composite materials for a wide range ofengineering applications, including structural components of aircraft andspacecraft. The processing of fiber-reinforced epoxy composite structuresrequires carefully selected heating and cooling cycles to fully cure the resinand form strong crosslinked networks. To fully optimize the processingparameters for effective epoxy monomer crosslinking and final productintegrity, the evolution of mechanical properties of epoxies during processingmust be comprehensively understood. Because the full experimentalcharacterization of these properties as a function of the degree of cure isdifficult and time-consuming, efficient computational predictive tools areneeded. The objective of this research is to develop an experimentallyvalidated Molecular Dynamics (MD) modeling method, which incorporates areactive force field, to accurately predict the thermo-mechanical properties ofan epoxy resin as a function of the degree of cure. Experimental rheometric andmechanical testing are used to validate an MD model which is subsequently usedto predict mass density, shrinkage, elastic properties, and yield strength as afunction of the degree of cure. The results indicate that each of the physicaland mechanical properties evolve uniquely during the crosslinking process.These results are important for future processing modeling efforts.

Molecular Dynamics Study to Predict Thermo-Mechanical Properties of DGEBF/DETDA Epoxy as a Function of Crosslinking Density