Deformation behavior of single-crystal magnesium during Nano-ECAP simulation

Molecular dynamics was applied to simulate ECAP of single-crystal magnesium at room temperature. Four samples with different orientations were processed, and the grain structure, grain fragmentation, slip systems, strain, and twin formation were analyzed. The initial orientation played a substantial role in the strain and deformation experienced by the samples during both stages of deformation. Compressions initially occurred before extrusion, and simple shear occurred in the deformation zone during extrusion. The samples nucleated a [Formula: see text] tension twin during compression, and the tension twin grew to immediately cover the entire sample, effectively changing the orientation of the sample. Additionally, stacking faults acted as a precursor for the [Formula: see text] tension twin. The strain was strongly correlated with the shear factor, that is, a high shear factor resulted in low strain. Moreover, discrepancy occurred between theoretical and actual shear strain due to two factors. First, theoretical shear is considered to be simple shear occurring entirely in the deformation zone; it does not consider the shear strain due to the normal stress in the compression phase. Second, deformation is considered to be homogenous and isotropic, and it does not take into account the initial grain orientation and the anisotropic nature of magnesium.