Thestudyworked out an efficient optimization ofheat fusion conditionsbetween thermoplastics using molecular dynamics (MD)and a response surface method. The heat fusion process between polypropylene (PP)and polyethylene ( PE)and the uniaxial elongation for evaluation of theinterfacialbonding strength weremodeled byusing 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

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... lynomial response surface was created bysetting 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 compared with other experimental points and random points.