Analysis of mechanical properties of nanocrystalline Al+α-Al2O3 composites using molecular dynamics simulation

Abstract

In this article, mechanical properties of nanocrystalline Al+α-Al2O3 composites are investigated using molecular dynamics simulations. The configurations of matrix and volume fraction of α-Al2O3 may affect the mechanical properties of the particle reinforced metal-matrix composites and are taken into account. The potentials for the Al+α-Al2O3 system developed by Xin Lai et al. are adopted to depict the interactions between Al and α-Al2O3. Monocrystal Al and Bicrystal Al based α-Al2O3 particle reinforced nanocomposites are modelled respectively. Results show that: (1) volume fraction of the particles has no explicit effects on the elastic modulus and ultimate strength in both monocrystal Al and bicrystal Al based matrix nanocomposites, (2) disappearance of valley in the stress-strain curve of bicrystal Al results from existence of dislocation in matrix of various orientations.