Molecular dynamics simulation of interfacial thermal resistance properties of BNNS/PP thermally conductive composites

Polypropylene is a commonly used environment-friendly material and has a broad application prospect. To develop polypropylene based composites with high thermal conductivity, the thermal resistance properties of boron nitride nanosheet (BNNS)/polypropylene composites at the interface were investigated using the reverse nonequilibrium molecular dynamics simulation (RNEMD) method, mainly considering the effect of the number of BNNs layers on the thermal conductivity at the interface. The results of the study show that the interface thermal resistance tends to increase significantly and then stabilize as the number of boron nitride layers increases.