Abstract：
: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.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Rogal L,Bobrowski P,Körmann F,Divinski S,Stein F,Grabowski Bdoi
10.1038/s41598-017-02385-wsubject
Has Abstractpub_date
2017-05-19 00:00:00pages
2209issue
1issn
2045-2322pii
10.1038/s41598-017-02385-wjournal_volume
7pub_type
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