EFFECTS OF DIFFERENT LOADING DIRECTIONS ON THE ORGANIZATION AND PROPERTIES OF MAGNESIUM SINGLE CRYSTALS BASED ON MOLECULAR DYNAMICS

Magnesium and its alloys are widely used as high-quality metal materials in various fields. In this study, the tensile properties of magnesium single crystals under different loading directions were investigated based on the molecular dynamics theory. By analyzing the changes in stress, potential energy, crystal structure, and dislocation lines, the following conclusions can be drawn: There are differences in strain values, dislocation line arrangement laws, and crystal structures of magnesium single crystals when dislocation lines are generated under different loading directions. However, the types of dislocation lines are generally the same, with 1/3­ dislocations and dislocations with an unknown structure being dominant. Furthermore, the results indicate that the number of 1/3­ dislocations is larger than that of dislocations with an unknown structure. These findings are of great significance for a deeper understanding of the deformation mechanism of magnesium single crystals.