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Title: Computational materials design of a corrosion resistant high entropy alloy for harsh environments

Abstract

The integrated computational materials engineering approach is inherently well suited to explore the vast, multi-dimensional high entropy alloy (HEA) compositional and processing space, and has been adopted in this work, coupled with empiricism, to the design of highly corrosion resistant HEAs. Using the combination of empirical and computational approaches, three non-equimolar HEA compositions were identified for their predicted ability to form a single-phase structure and to exhibit high corrosion resistance. One of them, $$Ni_{38}Cr_{21}Fe_{20}Ru_{13}Mo_6W_2$$, was successfully synthesized on the lab-scale and homogenized at 1250 °C for 120 hours. Exceedingly high corrosion resistance of the Ni-rich HEA was demonstrated in electrochemical testing.

Authors:
 [1];  [1];  [1];  [2];  [2];  [2];  [3];  [3];  [3]
  1. QuesTek Innovations, LLC, Evanston, IL (United States)
  2. The Ohio State Univ., Columbus, OH (United States). Fontana Corrosion Center
  3. Univ. of Virginia, Charlottesville, VA (United States)
Publication Date:
Research Org.:
QuesTek Innovations, LLC, Evanston, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD); The Ohio State Univ., Columbus, OH (United States); Univ. of Virginia, Charlottesville, VA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1594067
Alternate Identifier(s):
OSTI ID: 1548187
Grant/Contract Number:  
[SC0016584]
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
[ Journal Volume: 153; Journal Issue: C]; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; High entropy alloy; Corrosion; CALPHAD; Phase diagram; Modeling

Citation Formats

Lu, Pin, Saal, James E., Olson, Greg B., Li, Tianshu, Swanson, Orion J., Frankel, G. S., Gerard, Angela Y., Quiambao, Kathleen F., and Scully, John R. Computational materials design of a corrosion resistant high entropy alloy for harsh environments. United States: N. p., 2018. Web. doi:10.1016/j.scriptamat.2018.04.040.
Lu, Pin, Saal, James E., Olson, Greg B., Li, Tianshu, Swanson, Orion J., Frankel, G. S., Gerard, Angela Y., Quiambao, Kathleen F., & Scully, John R. Computational materials design of a corrosion resistant high entropy alloy for harsh environments. United States. doi:10.1016/j.scriptamat.2018.04.040.
Lu, Pin, Saal, James E., Olson, Greg B., Li, Tianshu, Swanson, Orion J., Frankel, G. S., Gerard, Angela Y., Quiambao, Kathleen F., and Scully, John R. Wed . "Computational materials design of a corrosion resistant high entropy alloy for harsh environments". United States. doi:10.1016/j.scriptamat.2018.04.040. https://www.osti.gov/servlets/purl/1594067.
@article{osti_1594067,
title = {Computational materials design of a corrosion resistant high entropy alloy for harsh environments},
author = {Lu, Pin and Saal, James E. and Olson, Greg B. and Li, Tianshu and Swanson, Orion J. and Frankel, G. S. and Gerard, Angela Y. and Quiambao, Kathleen F. and Scully, John R.},
abstractNote = {The integrated computational materials engineering approach is inherently well suited to explore the vast, multi-dimensional high entropy alloy (HEA) compositional and processing space, and has been adopted in this work, coupled with empiricism, to the design of highly corrosion resistant HEAs. Using the combination of empirical and computational approaches, three non-equimolar HEA compositions were identified for their predicted ability to form a single-phase structure and to exhibit high corrosion resistance. One of them, $Ni_{38}Cr_{21}Fe_{20}Ru_{13}Mo_6W_2$, was successfully synthesized on the lab-scale and homogenized at 1250 °C for 120 hours. Exceedingly high corrosion resistance of the Ni-rich HEA was demonstrated in electrochemical testing.},
doi = {10.1016/j.scriptamat.2018.04.040},
journal = {Scripta Materialia},
number = [C],
volume = [153],
place = {United States},
year = {2018},
month = {5}
}

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Cited by: 7 works
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