Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin
Abstract
From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects control ordering in these alloys.
- Authors:
-
- Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1439596
- Alternate Identifier(s):
- OSTI ID: 1439743
- Report Number(s):
- IS-J-9663
Journal ID: ISSN 2475-9953; PRMHAR; TRN: US1900627
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 2; Journal Issue: 5; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Singh, Prashant, Smirnov, A. V., and Johnson, Duane D.. Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin. United States: N. p., 2018.
Web. doi:10.1103/PhysRevMaterials.2.055004.
Singh, Prashant, Smirnov, A. V., & Johnson, Duane D.. Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin. United States. https://doi.org/10.1103/PhysRevMaterials.2.055004
Singh, Prashant, Smirnov, A. V., and Johnson, Duane D.. Thu .
"Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin". United States. https://doi.org/10.1103/PhysRevMaterials.2.055004. https://www.osti.gov/servlets/purl/1439596.
@article{osti_1439596,
title = {Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin},
author = {Singh, Prashant and Smirnov, A. V. and Johnson, Duane D.},
abstractNote = {From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects control ordering in these alloys.},
doi = {10.1103/PhysRevMaterials.2.055004},
journal = {Physical Review Materials},
number = 5,
volume = 2,
place = {United States},
year = {2018},
month = {5}
}
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Figures / Tables:
FIG. 1: Gibbs' tetrahedron (top) sighted along Nb-Mo-Ta face to rear W vertex. Plane (white-dash) through TaNbMoW is parallel to Nb-W-Ta plane. Binaries (A-NbMo; B-TaW; C-TaMo; D-NbW; E-TaNb; F-MoW) identify paths to TaNbMoW (VEC = 5.5): isoelectronic (ISO1 A-B [red]; ISO2 C-D [blue]), and band-filling (BF) E-F [green]. $E^{A2}_{f}$ (0$K$)more »
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Works referencing / citing this record:
Elemental Distribution in CrNbTaTiW-C High Entropy Alloy Thin Films
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