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High throughput first-principles calculations were employed to unravel the thermodynamic stability of two sets of hierarchical phases, βP‴ and βS‴, in Mg-RE (rare-earth) alloys. The βP‴ orderings (with compositions greater than xRE=0.125) are predicted to form in the Mg-{La,Ce,Pr,Nd,Pm,Sm} binary alloys, thus explaining experimental observations of RE atoms arranged as hexagonal rings in these alloys...
We report on a first-principles and experimental study of precipitation in supersaturated solid solutions of Mg-rich Mg–Nd alloys. A cluster expansion Hamiltonian combined with Monte Carlo simulations was used to calculate a metastable HCP temperature-composition phase diagram. Aging studies were performed on dilute Mg–Nd alloys that were then characterized with HAADF-STEM. The early stage decomposition...
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