Self-consistent electronic structure calculations have been performed on ordered cubic-based magnesium-lithium (Mgx-Li1−x) alloys spanning the concentration range 0 ≤ x ≤ 1, using an ab initio plane wave pseudopotential ...

A combination of ball milling experiments and ab initio calculations in this study successfully yielded results that shed light into understanding the fundamental basis for immiscibility and the concept of mechanical ...