Publication Date

5-31-2018

Department

Ames Laboratory; Materials Science and Engineering; Chemical and Biological Engineering; Physics and Astronomy

Campus Units

Ames Laboratory, Materials Science and Engineering, Chemical and Biological Engineering, Physics and Astronomy

OSTI ID+

1439596

Report Number

IS-J 9663

DOI

10.1103/PhysRevMaterials.2.055004

Journal Title

Physical Review Materials

Volume Number

2

Issue Number

5

First Page

055004

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. Our results reveal how complexity and competing electronic effects control ordering in these alloys.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Department of Energy Subject Categories

36 MATERIALS SCIENCE

Publisher

Iowa State University Digital Repository, Ames IA (United States)

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