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@ARTICLE{Heidelmann:825982,
author = {Heidelmann, Markus and Feuerbacher, Michael and Ma,
Duancheng and Grabowski, Blazej},
title = {{S}tructural anomaly in the high-entropy alloy
{Z}r{N}b{T}i{T}a{H}f},
journal = {Intermetallics},
volume = {68},
issn = {0966-9795},
address = {Amsterdam [u.a.]},
publisher = {Elsevier Science},
reportid = {FZJ-2017-00254},
pages = {11 - 15},
year = {2016},
abstract = {We present a high-resolution scanning transmission electron
microscopy study on the microstructure of a non-equiatomic
high-entropy alloy with the composition of Zr12.7 Nb30.8
Ti17.7 Ta30.8 Hf8.0 $(at.\%).$ We identify a novel
inter-grain phase (IGP) that compositionally and
structurally differs from the surrounding body-centred cubic
host. In particular, we find that the IGP has a composition
of Zr52.8 Nb6.9 Ti4.6 Ta20.6 Hf15.1 $(at.\%)$ and that it
solidifies in a face-centred cubic crystal lattice
structure. The occurrence of the latter is unexpected and
remarkable since all possible binary phase diagrams of the
involved elements only show body-centred cubic and hexagonal
close-packed crystal structures. Therefore, to validate our
experimental findings we have conducted parameter-free
ab-initio calculations based on density-functional theory
and the coherent-potential approximation. The simulations
support our experimental findings showing that for the
composition of the IGP, the face-centred cubic crystal
structure is indeed the most stable one.},
cin = {PGI-5},
ddc = {660},
cid = {I:(DE-Juel1)PGI-5-20110106},
pnm = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000364896500003},
doi = {10.1016/j.intermet.2015.08.013},
url = {https://juser.fz-juelich.de/record/825982},
}