Integrated computational materials engineering of corrosion resistant alloys

Taylor, Christopher D.; Lu, Pin; Saal, James; Frankel, G. S.; Scully, J. R.

doi:10.1038/s41529-018-0027-4

Title: Integrated computational materials engineering of corrosion resistant alloys

Journal Article · Tue Feb 20 00:00:00 EST 2018 · npj Materials Degradation

DOI:https://doi.org/10.1038/s41529-018-0027-4· OSTI ID:1470156

Taylor, Christopher D. ^[1]; Lu, Pin ^[2]; Saal, James ^[2]; Frankel, G. S. ^[3]; Scully, J. R. ^[4]

The Ohio State Univ., Columbus, OH (United States); DNV GL Columbus Inc., Dublin, OH (United States)
QuesTek Innovations LLC, Evanston, IL (United States)
The Ohio State Univ., Columbus, OH (United States)
Univ. of Virginia, Charlottesville, VA (United States)

Structure, composition and surface properties dictate corrosion resistance in any given environment. The degrees of freedom in alloy design are too numerous in emerging materials such as high entropy alloys and bulk metallic glasses for the use of high-throughput methods or trial and error. We review three domains of knowledge that can be applied towards the goal of corrosion resistant alloy (CRA) design: (a) the aggregation of knowledge gained through experience in developing CRAs empirically, (b) data-driven approaches that use descriptive metrics for alloy composition optimization, and (c) first-principles models of elementary processes that regulate corrosion informed by theory and inspired by phenomenological models in the literature. A path forward for integrated computational materials engineering (ICME) of CRAs that unites these three knowledge domains is introduced.

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Research Organization:: The Ohio State Univ., Columbus, OH (United States). Energy Frontier Research Center (EFRC) Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0016584

OSTI ID:: 1470156

Journal Information:: npj Materials Degradation, Vol. 2, Issue 1; ISSN 2397-2106

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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