Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships

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 use...

Full description

Saved in:
Bibliographic Details
Published in:Scientific reports 2015-10, Vol.5 (1), p.15476-15476, Article 15476
Main Authors: Homer, Eric R., Patala, Srikanth, Priedeman, Jonathan L.
Format: Article
Language:English
Subjects:
119/118
639/301/1034/1035
639/301/119/1002
639/301/119/544
Alloys
Computer applications
Data processing
Energy
Grain boundaries
Humanities and Social Sciences
MATERIALS SCIENCE
multidisciplinary
Science
Temperature effects
Trends
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:2045-2322
2045-2322
DOI:10.1038/srep15476