Reactive Molecular Dynamics Simulation of Epoxy for the Full Cross-Linking Process

Epoxy resins are used extensively in composite materials for a wide range of engineering applications, including structural components aircraft and spacecraft. The processing fiber-reinforced epoxy structures requires carefully selected heating cooling cycles to fully cure the resin form strong cross-linked networks. To optimize parameters effective monomer cross-linking final product integrity, evolution mechanical properties epoxies during must be comprehensively understood. Because full experimental characterization these as function degree is difficult time-consuming, efficient computational predictive tools needed. objective this research develop an experimentally validated Molecular Dynamics (MD) modeling method, which incorporates reactive force field, accurately predict thermo-mechanical cure. Experimental rheometric testing validate MD model, subsequently mass density, shrinkage, elastic properties, yield strength results indicate that each physical evolve uniquely process. These important future efforts.