Inferring grain boundary structure–property relations from effective property measurements
Abstract
Grain boundaries strongly affect many materials properties in polycrystalline materials. Yet, very few structure–property models exist for grain boundaries, due in large part to the complicated and poorly understood way in which the properties of grain boundaries vary with their crystallographic structure. Here, we infer grain boundary structure–property correlations from measurements of the effective properties of a polycrystal. We refer to this method as grain boundary properties localization. We apply this technique to a simple model system of grain boundary diffusivity in a two-dimensional microstructure, and infer the properties of low- and high-angle grain boundaries from the effective diffusivity of the grain boundary network. The generalization and use of these methods could greatly reduce the computational and experimental effort required to establish structure–property correlations for grain boundaries. More broadly, the technique of properties localization could be used to infer the properties of many microstructural constituents in complex microstructures.
- Authors:
-
[1];
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Univ. of Alabama, Tuscaloosa, AL (United States)
- Publication Date:
- Research Org.:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1557826
- Grant/Contract Number:
- SC0008926
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Materials Science
- Additional Journal Information:
- Journal Volume: 50; Journal Issue: 21; Journal ID: ISSN 0022-2461
- Publisher:
- Springer
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 54 ENVIRONMENTAL SCIENCES; Localization Problem; Effective Diffusivity; Percolation Threshold; Triple Junction; Effective Property
Citation Formats
Johnson, Oliver K., Li, Lin, Demkowicz, Michael J., and Schuh, Christopher A. Inferring grain boundary structure–property relations from effective property measurements. United States: N. p., 2015.
Web. doi:10.1007/s10853-015-9241-4.
Johnson, Oliver K., Li, Lin, Demkowicz, Michael J., & Schuh, Christopher A. Inferring grain boundary structure–property relations from effective property measurements. United States. https://doi.org/10.1007/s10853-015-9241-4
Johnson, Oliver K., Li, Lin, Demkowicz, Michael J., and Schuh, Christopher A. Tue .
"Inferring grain boundary structure–property relations from effective property measurements". United States. https://doi.org/10.1007/s10853-015-9241-4. https://www.osti.gov/servlets/purl/1557826.
@article{osti_1557826,
title = {Inferring grain boundary structure–property relations from effective property measurements},
author = {Johnson, Oliver K. and Li, Lin and Demkowicz, Michael J. and Schuh, Christopher A.},
abstractNote = {Grain boundaries strongly affect many materials properties in polycrystalline materials. Yet, very few structure–property models exist for grain boundaries, due in large part to the complicated and poorly understood way in which the properties of grain boundaries vary with their crystallographic structure. Here, we infer grain boundary structure–property correlations from measurements of the effective properties of a polycrystal. We refer to this method as grain boundary properties localization. We apply this technique to a simple model system of grain boundary diffusivity in a two-dimensional microstructure, and infer the properties of low- and high-angle grain boundaries from the effective diffusivity of the grain boundary network. The generalization and use of these methods could greatly reduce the computational and experimental effort required to establish structure–property correlations for grain boundaries. More broadly, the technique of properties localization could be used to infer the properties of many microstructural constituents in complex microstructures.},
doi = {10.1007/s10853-015-9241-4},
journal = {Journal of Materials Science},
number = 21,
volume = 50,
place = {United States},
year = {Tue Jul 21 00:00:00 EDT 2015},
month = {Tue Jul 21 00:00:00 EDT 2015}
}
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Works referencing / citing this record:
Grain boundary structure–property model inference using polycrystals: the overdetermined case
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