Ames Laboratory; Materials Science and Engineering; Chemical and Biological Engineering; Physics and Astronomy
Materials Science and Engineering, Ames Laboratory, Chemical and Biological Engineering, Physics and Astronomy
Physical Review Materials
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)
Department of Energy Subject Categories
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Iowa State University Digital Repository, Ames IA (United States)