Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys

Binglun Yin1*, Francesco Maresca1, W. A. Curtin1

1 Laboratory for Multiscale Mechanics Modeling (LAMMM) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

* Corresponding authors emails:
DOI10.24435/materialscloud:2020.0020/v1 [version v1]

Publication date: Feb 12, 2020

How to cite this record

Binglun Yin, Francesco Maresca, W. A. Curtin, Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys, Materials Cloud Archive 2020.0020/v1 (2020), doi: 10.24435/materialscloud:2020.0020/v1.


The element Vanadium (V) appears unique among alloying elements for providing high strengthening in both the fcc Co-Cr-Fe-Mn-Ni-V and bcc Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr high-entropy alloy families. The origin of Vanadium’s special role is its atomic volume: large in the fcc alloys and small in the bcc alloys, and thus having a large misfit volume in both crystalline structures. A parameter-free theory applicable to both fcc and bcc HEAs rationalizes this finding, with predictions of strength across a range of fcc and bcc alloys in quantitative and qualitative agreement with experiments. In the fcc class, the analysis demonstrates why the newly-discovered NiCoV and Ni0.632V0.368 alloys have far higher strength than any other fcc alloy and are predicted to be the highest attainable. In the bcc class, the analysis demonstrates that the addition of V always increases the strength relative to the same alloys without V. The optimization of complex alloys for high strength should thus center around the inclusion of V as a primary element at concentration levels of around 25 at.%.

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File name Size Description
15.4 MiB The key input and output of VASP calculations, about the elemental fcc V, misfit volume of V in pure Ni, and the misfit volumes in Ni2V random alloy.
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External references

Journal reference (Paper in which the data is discussed.)
B. Yin, F. Maresca, W. A. Curtin, Acta Materialia, accepted doi:10.1016/j.actamat.2020.01.062


high-entropy alloys Vanadium solute strengthening theory yield strength EPFL MARVEL/DD2

Version history:

2020.0020/v1 (version v1) [This version] Feb 12, 2020 DOI10.24435/materialscloud:2020.0020/v1