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)
