Mechanical and viscoelastic characterization of Al2O3 based polymer nanocomposites: An experimental and molecular dynamics simulation approach

Abstract

Polymer nanocomposites (PNCs) being revolutionary materials, comprises polymer matrix phase and nanoparticles (NPs) phase. This study focuses on incorporating alumina (Al2O3) into poly-dimethyl siloxane (PDMS) matrix to analyze viscoelastic behavior and damping in response to dynamic mechanical loading. The experiments were performed using nano-DMA for comparing how Al2O3 reinforcement influences structural conformations and dynamic properties of PNCs. At 100 Hz, the storage modulus (E′) increases by 150%, 20%, and 74% for 1.0 wt% NPs with average particle sizes of 25 nm, 80 nm, and 200 nm, respectively. The significant changes in storage modulus and hardness values occur during variable frequencies (10 to 50 Hz) for 1.0 wt%, 9.0 wt%, and 7.0 wt% with reinforcements of 25 nm, 80 nm, and 200 nm, respectively. Adhesion factor and reinforcement efficiency factor highlight complementary effects of reinforcements at different frequencies. Further, an all-atom MD simulation method characterizes static and dynamic properties, predicting comprehensive dynamical and structural–property relationships. This quantifies damping capacity and reveals insights into how Al2O3 alters the material’s behavior. In summary, the study provides a precise comparative analysis of overall PNC performance, emphasizing the intrinsic effect on mechanical properties. It recognizes deformation mechanisms driving energy storage and dissipation for developing PNCs with enhanced mechanical performance.