% IMPORTANT: The following is UTF-8 encoded. This means that in the presence % of non-ASCII characters, it will not work with BibTeX 0.99 or older. % Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or % “biber”. @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}, }