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Title: Integrated computational materials engineering of corrosion resistant alloys

Abstract

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.

Authors:
 [1];  [2];  [2];  [3];  [4]
  1. The Ohio State Univ., Columbus, OH (United States); DNV GL Columbus Inc., Dublin, OH (United States)
  2. QuesTek Innovations LLC, Evanston, IL (United States)
  3. The Ohio State Univ., Columbus, OH (United States)
  4. Univ. of Virginia, Charlottesville, VA (United States)
Publication Date:
Research Org.:
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 Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470156
Grant/Contract Number:  
SC0016584
Resource Type:
Accepted Manuscript
Journal Name:
npj Materials Degradation
Additional Journal Information:
Journal Volume: 2; Journal Issue: 1; Journal ID: ISSN 2397-2106
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING

Citation Formats

Taylor, Christopher D., Lu, Pin, Saal, James, Frankel, G. S., and Scully, J. R. Integrated computational materials engineering of corrosion resistant alloys. United States: N. p., 2018. Web. doi:10.1038/s41529-018-0027-4.
Taylor, Christopher D., Lu, Pin, Saal, James, Frankel, G. S., & Scully, J. R. Integrated computational materials engineering of corrosion resistant alloys. United States. doi:10.1038/s41529-018-0027-4.
Taylor, Christopher D., Lu, Pin, Saal, James, Frankel, G. S., and Scully, J. R. Tue . "Integrated computational materials engineering of corrosion resistant alloys". United States. doi:10.1038/s41529-018-0027-4. https://www.osti.gov/servlets/purl/1470156.
@article{osti_1470156,
title = {Integrated computational materials engineering of corrosion resistant alloys},
author = {Taylor, Christopher D. and Lu, Pin and Saal, James and Frankel, G. S. and Scully, J. R.},
abstractNote = {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.},
doi = {10.1038/s41529-018-0027-4},
journal = {npj Materials Degradation},
number = 1,
volume = 2,
place = {United States},
year = {2018},
month = {2}
}

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