Controllability of Polymer Crystal Orientation Using Heterogeneous Nucleation of Deformed Polymer Loops Grafted on Two-Dimensional Nanofiller

Nowadays, it is a research hotspot to realize the controllability of polymer crystal structure in polymer nanocomposites. However, polymer crystals induced by two-dimensional filler always exhibit random orientation, which somewhat limit the improvement of physical properties of polymer materials. In the current paper, dynamic Monte Carlo simulations were performed to explore the methods preparing crystals with uniform orientation. Heterogeneous nucleation of deformed polymer loops grafted on two-dimensional filler can induce the appearance of a special nanohybrid shish-kebab (NHSK) structure, in which the two-dimensional filler acts as shish and induces the formation of crystals with uniform orientation. The grafted deformed chains are first heterogeneously nucleated on filler; surface, and then free chain's participate in crystallization, resulting, in the formation of the NHSK structure. The NHSK structure can only be formed in the systems with high interfacial interactions at high temperatures or moderate interfacial interactions at moderate temperatures or low interfacial interactions at low temperatures. The method proposed here the controllability of polymer crystal orientation in experiments, can be used to achieve the controllability of polymer crystal orientation in experiments.