Inferring grain boundary structure–property relations from effective property measurements
Grain boundaries strongly affect many materials properties in polycrystalline materials. However, 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...
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| Format: | Article |
| Language: | English |
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Springer US
2016
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| Online Access: | http://hdl.handle.net/1721.1/103286 https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0003-3949-0441 |
| _version_ | 1826202470191202304 |
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| author | Johnson, Oliver K. Li, Lin Demkowicz, Michael J. Schuh, Christopher A. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Johnson, Oliver K. Li, Lin Demkowicz, Michael J. Schuh, Christopher A. |
| author_sort | Johnson, Oliver K. |
| collection | MIT |
| description | Grain boundaries strongly affect many materials properties in polycrystalline materials. However, 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. In the present work, we infer grain boundary structure-property correlations from measurements of the effective properties of a polycrystal. We refer to this approach 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. |
| first_indexed | 2024-09-23T12:07:58Z |
| format | Article |
| id | mit-1721.1/103286 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T12:07:58Z |
| publishDate | 2016 |
| publisher | Springer US |
| record_format | dspace |
| spelling | mit-1721.1/1032862022-10-01T08:24:32Z Inferring grain boundary structure–property relations from effective property measurements Johnson, Oliver K. Li, Lin Demkowicz, Michael J. Schuh, Christopher A. Massachusetts Institute of Technology. Department of Materials Science and Engineering Demkowicz, Michael J. Schuh, Christopher A. Grain boundaries strongly affect many materials properties in polycrystalline materials. However, 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. In the present work, we infer grain boundary structure-property correlations from measurements of the effective properties of a polycrystal. We refer to this approach 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. United States. Dept. of Energy. Office of Basic Energy Sciences (Award No. DE-SC0008926) United States. Dept. of Defense (National Defense Science and Engineering Graduate (NDSEG) Fellowship Program) 2016-06-23T14:00:28Z 2016-06-23T14:00:28Z 2015-07 2015-04 2016-05-23T12:15:26Z Article http://purl.org/eprint/type/JournalArticle 0022-2461 1573-4803 http://hdl.handle.net/1721.1/103286 Johnson, Oliver K., Lin Li, Michael J. Demkowicz, and Christopher A. Schuh. "Inferring grain boundary structure–property relations from effective property measurements." Journal of Materials Science 50:21 (November 2015), pp. 6907-6919. https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0003-3949-0441 en http://dx.doi.org/10.1007/s10853-015-9241-4 Journal of Materials Science Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ Springer Science+Business Media New York application/pdf Springer US Springer US |
| spellingShingle | Johnson, Oliver K. Li, Lin Demkowicz, Michael J. Schuh, Christopher A. Inferring grain boundary structure–property relations from effective property measurements |
| title | Inferring grain boundary structure–property relations from effective property measurements |
| title_full | Inferring grain boundary structure–property relations from effective property measurements |
| title_fullStr | Inferring grain boundary structure–property relations from effective property measurements |
| title_full_unstemmed | Inferring grain boundary structure–property relations from effective property measurements |
| title_short | Inferring grain boundary structure–property relations from effective property measurements |
| title_sort | inferring grain boundary structure property relations from effective property measurements |
| url | http://hdl.handle.net/1721.1/103286 https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0003-3949-0441 |
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