Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys

Pin Lu; James E. Saal; Gregory B Olson; Tianshu Li; Sarita Sahu; Orion J. Swanson; G. S. Frankel; Angela Y. Gerard; John R. Scully

doi:10.1016/j.scriptamat.2019.07.003

Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys

Pin Lu^*, James E. Saal, Gregory B Olson, Tianshu Li, Sarita Sahu, Orion J. Swanson, G. S. Frankel, Angela Y. Gerard, John R. Scully

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

The integrated computational materials engineering approach has been employed to design a series of four single-phase non-equimolar high entropy alloys (HEAs) with systematically varied compositions (Ni₃₈Fe₂₀Cr_xMn_21–0.5xCo_21–0.5x with x = 6, 10, 14, and 22) and corrosion behavior. The HEAs were successfully designed, synthesized and confirmed to possess a single-phase FCC structure. Preliminary electrochemical corrosion characterization was conducted to gain fundamental understanding of the effects of HEA composition on corrosion resistance, which will be utilized to develop mechanistic corrosion models that enable the optimal design of corrosion resistant HEA. HEA containing 6 at.% Cr showed indications of passivity at a relatively low Cr content.

Original language	English (US)
Pages (from-to)	12-16
Number of pages	5
Journal	Scripta Materialia
Volume	172
DOIs	https://doi.org/10.1016/j.scriptamat.2019.07.003
State	Published - Nov 2019

Keywords

CALPHAD
Corrosion
High entropy alloy
Modeling
Phase diagram

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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title = "Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys",

abstract = "The integrated computational materials engineering approach has been employed to design a series of four single-phase non-equimolar high entropy alloys (HEAs) with systematically varied compositions (Ni38Fe20CrxMn21–0.5xCo21–0.5x with x = 6, 10, 14, and 22) and corrosion behavior. The HEAs were successfully designed, synthesized and confirmed to possess a single-phase FCC structure. Preliminary electrochemical corrosion characterization was conducted to gain fundamental understanding of the effects of HEA composition on corrosion resistance, which will be utilized to develop mechanistic corrosion models that enable the optimal design of corrosion resistant HEA. HEA containing 6 at.% Cr showed indications of passivity at a relatively low Cr content.",

keywords = "CALPHAD, Corrosion, High entropy alloy, Modeling, Phase diagram",

author = "Pin Lu and Saal, {James E.} and Olson, {Gregory B} and Tianshu Li and Sarita Sahu and Swanson, {Orion J.} and Frankel, {G. S.} and Gerard, {Angela Y.} and Scully, {John R.}",

note = "Funding Information: This work was supported as part of the Center for Performance and Design of Nuclear Waste Forms and Containers, an Energy Frontier Research Center funded by the U.S. Department of Energy , Office of Science, Basic Energy Sciences under Award # DE-SC0016584 . Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd.",

year = "2019",

month = nov,

doi = "10.1016/j.scriptamat.2019.07.003",

language = "English (US)",

volume = "172",

pages = "12--16",

journal = "Scripta Materialia",

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publisher = "Elsevier Limited",

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AU - Lu, Pin

AU - Saal, James E.

AU - Olson, Gregory B

AU - Li, Tianshu

AU - Sahu, Sarita

AU - Swanson, Orion J.

AU - Frankel, G. S.

AU - Gerard, Angela Y.

AU - Scully, John R.

N1 - Funding Information: This work was supported as part of the Center for Performance and Design of Nuclear Waste Forms and Containers, an Energy Frontier Research Center funded by the U.S. Department of Energy , Office of Science, Basic Energy Sciences under Award # DE-SC0016584 . Publisher Copyright: © 2019 Elsevier Ltd.

PY - 2019/11

Y1 - 2019/11

N2 - The integrated computational materials engineering approach has been employed to design a series of four single-phase non-equimolar high entropy alloys (HEAs) with systematically varied compositions (Ni38Fe20CrxMn21–0.5xCo21–0.5x with x = 6, 10, 14, and 22) and corrosion behavior. The HEAs were successfully designed, synthesized and confirmed to possess a single-phase FCC structure. Preliminary electrochemical corrosion characterization was conducted to gain fundamental understanding of the effects of HEA composition on corrosion resistance, which will be utilized to develop mechanistic corrosion models that enable the optimal design of corrosion resistant HEA. HEA containing 6 at.% Cr showed indications of passivity at a relatively low Cr content.

AB - The integrated computational materials engineering approach has been employed to design a series of four single-phase non-equimolar high entropy alloys (HEAs) with systematically varied compositions (Ni38Fe20CrxMn21–0.5xCo21–0.5x with x = 6, 10, 14, and 22) and corrosion behavior. The HEAs were successfully designed, synthesized and confirmed to possess a single-phase FCC structure. Preliminary electrochemical corrosion characterization was conducted to gain fundamental understanding of the effects of HEA composition on corrosion resistance, which will be utilized to develop mechanistic corrosion models that enable the optimal design of corrosion resistant HEA. HEA containing 6 at.% Cr showed indications of passivity at a relatively low Cr content.

KW - CALPHAD

KW - Corrosion

KW - High entropy alloy

KW - Modeling

KW - Phase diagram

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JF - Scripta Materialia

SN - 1359-6462

ER -

Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys

Abstract

Keywords

ASJC Scopus subject areas

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