Compression Behavior of Al-Mg Phases, Molecular Dynamics Simulation

Abstract

Aluminum alloys development always exit in the manufacturing process. Al/Mg alloys have been attracted significant attention because of their excellent mechanical properties. The microstructural evolution and deformation mechanisms are still challenging issues, and it is hard to observe directly by experimental methods. Accordingly, in this paper atomic simulations are performed to investigate the uniaxial compressive behavior of Al/Mg phases; with different ratio of Mg ranging from 31% to 56%. The compression is at the same strain rate (3.1010s⁻¹), at the same temperature (300K) and pressure, using embedded atom method (EAM) potential to model the interactions and the deformation behavior between Al and Mg.From these simulations, we get the radial distribution function; the stress–strain responses to describe the elastic and plastic behaviors of β-Al3Mg2, ε-Al30Mg23, Al1Mg1and γ-Al12Mg17phases with 31, 41, 50 and 56% of Mg added to pure aluminum, respectively. The mechanical properties, such as Young’s modulus, elasticity limit and rupture pressure, are determined and presented. The engineering equation was used to plot the stress-strain curve for each phase.From the results obtained, the chemical composition has a significant effect on the properties of these phases. The stress-strain behavior comprised elastic, yield, strain softening and strain hardening regions that were qualitatively in agreement with previous simulations and experimental results. These stress-strain diagrams obtained show a rapid increase in stress up to a maximum followed by a gradual drop when the specimen fails by ductile fracture. Under compression, the deformation behavior of β-Al3Mg2and γ-Al12Mg17phases is slightly similar. From the results, it was found that ε-Al30Mg23phase are brittle under uniaxial compressive loading and γ-Al12Mg17phase is very ductile under the same compressive loading.The engineering stress-strain relationship suggests that β-Al3Mg2and γ-Al12Mg17phases have high elasticity limit, ability to resist deformation and also have the advantage of being highly malleable. From this simulation, we also find that the mechanical properties under compressive load of ε-Al30Mg23phase are evidently less than other phases, which makes it the weakest phase. The obtained results were compared with the previous experimental studies, and generally, there is a good correlation.The Al-Mg system was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator).