To investigate the mechanisms by which coupling-modified nano-silica (SiO2) affects the thermal

mechanical

and electrical properties of silicone rubber materials

and to clarify the differences in modification effects at various grafting ratios. In this study

molecular dynamics simulations were employed to establish models of silicone rubber composites modified with coupling-modified nano-SiO2 (KH-550) at different grafting ratios. The results indicate that coupling-modified nano-SiO2 effectively enhances the thermal

mechanical

and electrical properties of silicone rubber

and that the extent of performance improvement varies with the grafting ratio. Nano-SiO2 modified with a 10% grafting rate demonstrated the best performance enhancement for silicone rubber

with a thermal conductivity increase of 75% compared to unmodified silicone rubber

a Young’s modulus increase of 50%

and a relative permittivity reduction of 32%. Additionally

the study elucidates the microscopic mechanisms underlying the improvement in the thermal conductivity

mechanical properties

and electrical characteristics of silicone rubber from the perspectives of molecular chain motion

free volume

and radial distribution function. These findings provide a theoretical basis for enhancing the thermal and mechanical properties of silicone rubber materials.