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Title: Design of refractory high-entropy alloys

Here, this report presents a design methodology for refractory high-entropy alloys with a body-centered cubic (bcc) structure using select empirical parameters (i.e., enthalpy of mixing, atomic size difference, Ω-parameter, and electronegativity difference) and CALPHAD approach. Sixteen alloys in equimolar compositions ranging from quinary to ennead systems were designed with experimental verification studies performed on two alloys using x-ray diffraction, energy-dispersive spectroscopy, and scanning electron microscopy. Two bcc phases were identified in the as-cast HfMoNbTaTiVZr, whereas multiple phases formed in the as-cast HfMoNbTaTiVWZr. Observed elemental segregation in the alloys qualitatively agrees with CALPHAD prediction. Comparisons of the thermodynamic mixing properties for liquid and bcc phases using the Miedema model and CALPHAD are presented. This study demonstrates that CALPHAD is more effective in predicting HEA formation than empirical parameters, and new single bcc HEAs are suggested: HfMoNbTiZr, HfMoTaTiZr, NbTaTiVZr, HfMoNbTaTiZr, HfMoTaTiVZr, and MoNbTaTiVZr.
 [1] ;  [1] ;  [2] ;  [2] ;  [2] ;  [2]
  1. National Energy Technology Lab. (NETL), Albany, OR (United States); AECOM, Albany, OR (United States)
  2. National Energy Technology Lab. (NETL), Albany, OR (United States)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of The Minerals, Metals & Materials Society
Additional Journal Information:
Journal Volume: 67; Journal Issue: 11; Journal ID: ISSN 1047-4838
Research Org:
National Energy Technology Laboratory (NETL), Pittsburgh, PA, and Morgantown, WV (United States)
Sponsoring Org:
Country of Publication:
United States
36 MATERIALS SCIENCE high-entropy alloys; refractory metals; BCC structure; CALPHAD; phase diagram; thermodynamics