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Polyphenylene sulfide (PPS) and copper (Cu) were used as the polymer and substrate material to simulate the nano-injection molding process by molecular dynamics method. The results show that the PPS chain obeys Einstein’s diffusion law in the early stage of injection molding then deviates from it in the late stage due to the entanglement and limitation of surrounding nanoparticles. In addition, the process of conformational isomerization of polymer chains is accompanied by the twisting and stretching of fixed chains. There are two kinds of adhesion phenomena, one is the macromolecular slides violently in small areas of some sure nanoscale groove to form multiple anchor points. The other case involves multiple nano-grooves along the metal interface, the polymer chain slides and is bolted as multiple anchors in different grooves due to the exerted wall-drag effect on the neighboring chains. These two slipping and anchoring mechanisms are consistent with de Gennes’ slipping theory. Through the quantitative analysis of the influence of pressure on injection filling, it is found that injection pressure should be kept within a certain range to achieve the positive effect of molding.

Study on wall-slipping mechanism of nano-injection polymer under the constant temperature fields