High entropy alloys (HEAs) in the hexagonal close-packed (hcp) phase usually show poor mechanical properties. We demonstrate here, by use of ab initio simulations and detailed experimental investigations, that the mechanical properties can be improved by optimizing the microstructure. In particular we design a dual-phase HEA consisting of a body-centered cubic (bcc) matrix and hcp laths, with nanoprecipitates of the ω phase in the Sc-Ti-Zr-Hf-Re system, by controlling the Re content. This dedicated microstructure reveals, already in the as-cast state, high compressive strength and good ductility of 1910 MPa and 8%, respectively. Our study lifts the hcp-based HEAs onto a competitive, technological level.

Multi-principle element alloys have enormous potential, but their exploration suffers from the tremendously large range of configurations. In the last decade such alloys have been designed with a focus on random solid solutions. Here we apply an experimentally verified, combined thermodynamic and first-principles design strategy to reverse the traditional approach and to generate a new type of hcp Al-Hf-Sc-Ti-Zr high entropy alloy with a hitherto unique structure. A phase diagram analysis narrows down the large compositional space to a well-defined set of candidates. First-principles calculations demonstrate the energetic preference of an ordered superstructure over the competing disordered solid solutions. The chief ingredient is the Al concentration, which can be tuned to achieve a D0₁₉ ordering on the hexagonal lattice. The computationally designed D0₁₉ superstructure is experimentally confirmed by transmission electron microscopy and X-ray studies. Our scheme enables the exploration of a new class of high entropy alloys.