Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31.

To develop and design mg-based nanoalloys with excellent properties, it is necessary to explore the forming process. In this paper, to explore the effect of different loading directions on the phase transformation of magnesium alloy, the model of AZ31 magnesium alloy was established, the process of Uniaxial Compression (UC) of magnesium alloy in different directions was simulated, the changes of atomic position and phase structure were observed, and the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions was summarized. The conclusions are as follows: the stress and strain, potential energy and volume change, void evolution, phase structure change and dislocation evolution of magnesium alloy are consistent, and there is no significant difference. In the process of uniaxial compression, the phase transformation of hexagonal closely packed (HCP) → face-centered cubic (FCC) is the main, and its structure evolves into HCP → Other → FCC. Shockley partial dislocations always precede FCC stacking faults by about 4.5%, and Shockley partial dislocations surround FCC stacking faults. In this paper, the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions is summarized, which provides a theoretical basis for the processing and development of magnesium-based nanoalloys.