Studies on Mechanical Properties and Optimization Model of PI/SiO2 Nanocomposite Based on Materials Studio

Abstract

The unit cell models of PI/SiO2 nanocomposite was built by Materials Studio. The stiffness matrix and mechanical properties parameters such as Young modulus, shear modulus, bulk modulus and Poisson ratio of the unit cells were achieved after molecular dynamic (MD) optimizations and calculations. The influence factors on the mechanical properties of nanocomposite were analyzed. Finally, the optimization model was achieved.