Process design for heat fusion of thermoplastic composites using molecular dynamics and a response surface method

This study investigates efficient optimization of heat fusion conditions between thermoplastics using molecular dynamics (MD) and a response surface method. The heat fusion process between polypropylene and polyethylene and the uniaxial elongation for evaluation of the interfacial bonding strength were modeled using coarse-grained MD simulation. To determine the optimal conditions of heat fusion, experimental points were selected on the basis of a central composite design, and a second-order polynomial response surface was created by setting temperature, pressure, and polymerization degree as explanatory variables and the strength of fused interface as the response. The obtained optimal solution under constrained conditions yielded the highest strength when compared with other experimental points and random points.