Study on properties of ultra-thin film by molecular dynamics simulation

摘要

Simulations of confined fluid of hexadecane had been performed by means of a molecular dynamics algorithm in this paper. Special attentions were paid to the fluid microstructures and its relations to the rheological properties. The glass-like structure of wall-induced layering is found much different from the bulk. The frictions profoundly depend on the phase transition, which is affected by the gap scale between two walls and the wall-fluid interaction strength. Shear-induced configuration is found in simulation.