Grain boundary plane orientation fundamental zones and structure-property relationships
Abstract
Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to the strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.
- Authors:
-
- Brigham Young Univ., Provo, UT (United States)
- North Carolina State Univ., Raleigh, NC (United States)
- Publication Date:
- Research Org.:
- Brigham Young University, Provo, UT (United States). Dept. of Mechanical Engineering
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1239273
- Grant/Contract Number:
- SC0012587
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 5; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Homer, Eric R., Patala, Srikanth, and Priedeman, Jonathan L. Grain boundary plane orientation fundamental zones and structure-property relationships. United States: N. p., 2015.
Web. doi:10.1038/srep15476.
Homer, Eric R., Patala, Srikanth, & Priedeman, Jonathan L. Grain boundary plane orientation fundamental zones and structure-property relationships. United States. https://doi.org/10.1038/srep15476
Homer, Eric R., Patala, Srikanth, and Priedeman, Jonathan L. Mon .
"Grain boundary plane orientation fundamental zones and structure-property relationships". United States. https://doi.org/10.1038/srep15476. https://www.osti.gov/servlets/purl/1239273.
@article{osti_1239273,
title = {Grain boundary plane orientation fundamental zones and structure-property relationships},
author = {Homer, Eric R. and Patala, Srikanth and Priedeman, Jonathan L.},
abstractNote = {Grain boundary plane orientation is a profoundly important determinant of character in polycrystalline materials that is not well understood. This work demonstrates how boundary plane orientation fundamental zones, which capture the natural crystallographic symmetries of a grain boundary, can be used to establish structure-property relationships. Using the fundamental zone representation, trends in computed energy, excess volume at the grain boundary, and temperature-dependent mobility naturally emerge and show a strong dependence on the boundary plane orientation. Analysis of common misorientation axes even suggests broader trends of grain boundary energy as a function of misorientation angle and plane orientation. Due to the strong structure-property relationships that naturally emerge from this work, boundary plane fundamental zones are expected to simplify analysis of both computational and experimental data. This standardized representation has the potential to significantly accelerate research in the topologically complex and vast five-dimensional phase space of grain boundaries.},
doi = {10.1038/srep15476},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Mon Oct 26 00:00:00 EDT 2015},
month = {Mon Oct 26 00:00:00 EDT 2015}
}
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