Journal Article

FZJ-2017-00254

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structural anomaly in the high-entropy alloy ZrNbTiTaHf

Heidelmann, M. (Corresponding author) ; Feuerbacher, M.FZJ* ; Ma, D. ; Grabowski, B.

2016
Elsevier Science Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.intermet.2015.08.013

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.

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Contributing Institute(s):

1. Mikrostrukturforschung (PGI-5)

Research Program(s):

1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2016

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Database coverage:
; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; No Authors Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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