Investigation of the mechanical properties of different amorphous composites using the molecular dynamics simulation

Abstract

Metal matrix composites have various structural and thermal applications in terms of their unique mechanical and thermal properties compared to their counterparts. These nanoparticle (NP)-reinforced composites have received much attention due to their relatively low production costs and excellent mechanical properties. In the present research, modeling and studying the effects of adding reinforcing NP on the hardness of aluminium-based composites is done using the molecular dynamics (MD) simulation. The expressed structures' equilibration, temperature, and potential energy are calculated and reported in the first simulation stage. In this regard, the parameters of Lennard-Jones potential function for the particles in the MD simulation of aluminium and oxygen. Finally, the results show that the hardness of pure nanocomposite (NC) was equal to 100, and by adding NP with a mass ratio of 6%, the hardness of NC increased from 100 to 190 HV. The radial distribution function (RDF) showed that the composition was in the solid phase at a temperature of 300 K, indicating the proper balance of simulated atomic systems. The results show that the maximum value of RDF decreased by increasing the amount of reinforcement. The results show that the yield stress decreased as the volume fraction of reinforcement increased in the crystal structure. Finally, it is expected that the results obtained from MD simulations will be considered in the practical use of aluminium NCs reinforced with alumina nanoparticles in various industrial, engineering and medical uses.