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Tuning phase-stability and short-range order through AI-doping in (CoCrFeMn)100-xAIx high entropy alloys
Ames Laboratory Accepted Manuscripts
  • Prashant Singh, Ames Laboratory
  • Amalraj Marshal, RWTH Aachen University
  • A. V. Smirnov, Ames Laboratory
  • Aayush Sharma, Ames Laboratory
  • Ganesh Balasubramanian, Lehigh University
  • K. G. Pradeep, RWTH Aachen University and Indian Institute of Technology Madras
  • Duane D. Johnson, Iowa State University and Ames Laboratory
Publication Date
Ames Laboratory; Materials Science and Engineering; Chemical and Biological Engineering; Physics and Astronomy
Report Number
IS-J 9970
Journal Title
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)
AC02-07CH11358; N00014-16-1-2548
Iowa State University Digital Repository, Ames IA (United States)
Citation Information
Prashant Singh, Amalraj Marshal, A. V. Smirnov, Aayush Sharma, et al.. "Tuning phase-stability and short-range order through AI-doping in (CoCrFeMn)100-xAIx high entropy alloys" Vol. 3 Iss. 7 (2019) p. 075002
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