Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites

Abstract

The mechanical properties and interfacial structures for aluminum matrix composites reinforced by nanometer-sized SiC-β particles has been studied using molecular dynamics (MD) simulation. The modified embedded atom methods, was implemented to describe the atomic interactions. The molecular model undergoes an annealing MD simulation from 300 K to 1000 K to reach its minimum energy point. Tensile tests were performed with periodic boundary conditions. The stress-strain relationship has been studied and elastic constants were predicted as well. The results were compared with those given by continuum-based finite element analysis (FEA) together with the experimental data available in the literatures. It showed that both the elastic modulus and yield stress were further strengthened due to the presence of the nano-particles. Also, it was found that the existing SiC nano-particles have an effect on the initial arrangement of Al atoms in such a manner: Al atoms were inclined to aggregate around the particle surface. Aluminum concentrations were also observed inside the SiC particles close to the surface. The depth of hybridization is uniform and planar.