Molecular dynamics simulation and experiment on analyzing mechanical properties of PMMA/SiO2 composites based on interfacial interaction

In this paper, we investigate the impact of modified SiO2 nanoparticles on mechanical properties Polymethyl methacrylate (PMMA) composites through a combination molecular dynamics simulation and experimentation. Our investigation focuses analyzing elastic modulus, bulk shear Cauchy ratio pure PMMA, PMMA/SiO2 composites, PMMA/modified over temperature range 200–400 K. results indicate that, as increases, all materials decrease, while modulus initially increases then decreases. Notably, at room temperature, increase with an in degree nanoparticle modification, exhibits opposite trend. findings suggest that have potential to enhance composite materials. To validate our results, also conducted experiments demonstrated rationality approach.