Molecular Dynamics Simulations of Nano-Composite Materials

Abstract

Molecular dynamics (MD) simulations have emerged as pivotal tools in the design and optimization of nano-composite materials. This study delves into the application of MD simulations to investigate the structural, mechanical, and thermal properties of nano-composites. By modeling interactions at the atomic level, MD simulations provide insights into the behavior of nano-fillers within polymer matrices, enabling the prediction of material performance under various conditions. The integration of MD simulations with experimental data facilitates the development of advanced materials with tailored properties for applications in aerospace, electronics, and biomedicine.