Comparison of the Solid Solution Properties of Mg‐RE (Gd, Dy, Y) Alloys with Atomistic Simulation

Abstract

Molecular dynamic simulations have been performed to study the solid solution mechanism of Mg100‐xREx (RE = Gd, Dy, Y, x = 0.5, 1, 2, 3, 4 at.%). The obtained results reveal that the additions of Gd, Dy and Y increase the lattice constants of Mg‐RE alloys. Also the axis ratio c/a remains unchanged with increase in temperature, restraining the occurrence of nonbasal slip and twinning. Furthermore, it is confirmed that bulk modulus of Mg alloys can be increased remarkably by adding the Gd, Dy, Y, especially Gd, because the solid solubility of Gd in Mg decrease sharply with temperature in comparison with Dy and Y. Consequently, the addition of the RE can enhance the strength of Mg‐based alloys, which is in agreement with the experimental results.