Grain boundary plane orientation fundamental zones and structure-property relationships

Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L.

doi:10.1038/srep15476

Grain boundary plane orientation fundamental zones and structure-property relationships

Journal Article · Mon Oct 26 00:00:00 EDT 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep15476· OSTI ID:1239273

Homer, Eric R. ^[1]; Patala, Srikanth ^[2]; Priedeman, Jonathan L. ^[3]

Brigham Young Univ., Provo, UT (United States); None
North Carolina State Univ., Raleigh, NC (United States)
Brigham Young Univ., Provo, UT (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Brigham Young University, Provo, UT (United States). Dept. of Mechanical Engineering

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0012587

OSTI ID:: 1239273

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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