Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys

Singh, Prashant; Marshal, Amalraj; Smirnov, A. V.; Sharma, Aayush; Balasubramanian, Ganesh; Pradeep, K. G.; Johnson, Duane D.

doi:10.1103/PhysRevMaterials.3.075002

Title: Tuning phase stability and short-range order through Al doping in ${(CoCrFeMn)}_{100 - x} A l_{x}$ high-entropy alloys

Journal Article · Mon Jul 08 00:00:00 EDT 2019 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.3.075002· OSTI ID:1542874

Singh, Prashant ^[1]; Marshal, Amalraj ^[2]; Smirnov, A. V. ^[1]; Sharma, Aayush ^[1]; Balasubramanian, Ganesh ^[3]; Pradeep, K. G. ^[4]; Johnson, Duane D. ^[5]

Ames Lab., Ames, IA (United States)
RWTH Aachen Univ. (Germany)
Lehigh Univ., Bethlehem, PA (United States)
RWTH Aachen Univ. (Germany); Indian Inst. of Technology (IIT), Madras (India)
Ames Lab. and Iowa State Univ., Ames, IA (United States)

For ${(CoCrFeMn)}_{100 - x} A l_{x}$ high-entropy alloys, we report on 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 ${(CoCrFeMn)}_{100 - x} A l_{x}$ 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 confirm our present experimental findings and other reported ones.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-07CH11358; N00014-16-1-2548

OSTI ID:: 1542874

Alternate ID(s):: OSTI ID: 1546452

Report Number(s):: IS-J-9970; PRMHAR

Journal Information:: Physical Review Materials, Vol. 3, Issue 7; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 24 works

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