Fig. 6: The partially ordered structures the Al_xCrFeCoNi high-entropy alloy predicted by our linear response theory for three selected values of x.

The three visualised structures are for a x = 0—an L1₂ ordering, b x = 0.5—a D0₂₂ ordering, and c x = 1—a B2 ordering. We note that in the case of (b), the L1₂ and D0₂₂ orderings are very close in energy; D0₂₂ ordering is only just favoured over L1₂ in our calculations. We emphasise that these orderings are only the initial orderings inferred from the solid solution by our linear response theory, and that further chemical orderings and/or eventual segregation can occur at lower temperatures. This aspect is examined by our atomistic modelling.