TY  - JOUR
AU  - Heidelmann, Markus
AU  - Feuerbacher, Michael
AU  - Ma, Duancheng
AU  - Grabowski, Blazej
TI  - Structural anomaly in the high-entropy alloy ZrNbTiTaHf
JO  - Intermetallics
VL  - 68
SN  - 0966-9795
CY  - Amsterdam [u.a.]
PB  - Elsevier Science
M1  - FZJ-2017-00254
SP  - 11 - 15
PY  - 2016
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000364896500003
DO  - DOI:10.1016/j.intermet.2015.08.013
UR  - https://juser.fz-juelich.de/record/825982
ER  -