Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study

Figure 3

A schematic representation of the model used in the computations: (a) initial structure, (b) stacking fault structure imposed by sliding layers numbered 1–6 in the upper part, and (c) twinning fault configuration generated by displacing layers 1–5 in similar fashion. All configurations separated from the rest by a 15 Å thick vacuum. For the Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys, one atom of Mg in the seventh layer is replaced by the rare earth element.

(a) No fault

(b) Stacking fault

(c) Twinning fault