Publication Date

7-8-2019

Department

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

Campus Units

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

OSTI ID+

1542874

Report Number

IS-J 9970

DOI

10.1103/PhysRevMaterials.3.07500

Journal Title

Physical Review Materials

Volume Number

3

Issue Number

7

First Page

075002

Abstract

For (CoCrFeMn)100−xAlx high-entropy alloys, we investigate the phase evolution with increasing Al content (0≤x≤20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)100−xAlx alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys—an ideal approach for predictive design of high-entropy alloys. The predictions agree with our present experimental findings and other reported ones.

DOE Contract Number(s)

AC02-07CH11358; N00014-16-1-2548

Language

en

Department of Energy Subject Categories

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Publisher

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

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