The polymer-metal interactive behavior in polyphenylene sulfide/aluminium hetero interface in nano injection molding

摘要

In this paper, a series of molecular dynamics (MD) simulations were conducted to investigate the polymer-metal interactive behavior in nano injection molding. The polyphenylene sulfide (PPS) and aluminum (Al) were selected as candidate polymer and substrate materials. A multilayer simulation model containing an Al layer with a ‘V' shape pole, a PPS layer and a vacuumlayer in a cuboid of 4 nm×4 nm×11 nm was constructed. Simulations results showthat PPSmolecules trend to flow closely to the sidewall of Al nano-pole due to the non-bonded interactions. The inverted V-shaped variation of the radius of gyrations (RG) indicates that macromolecules are stretched instantaneous in infancy, and generate elastic recovery afterwards. The variation gradients of RG illustrate that the internal friction and shear-thinning become significant when polymer crowds into the nano-pole. The filling density and filling rate show an inverted V-shaped and horizontal S-shaped increasing trendy, respectively, which show that there is commonly an optimal temperature window, a higher injection pressure is conducive to improve the adhesion performance. The variations of the filling density of themass of PPS in layers are also confirmed the configuration results. The PPS/Al interfacial energy indicates the interfacial adhesion is significantly affected by intermolecular forces.