About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
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Characterization: Structural Descriptors, Data-Intensive Techniques, and Uncertainty Quantification
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Presentation Title |
The Grain Boundary Octonion: Metrics, Paths, and Fundamental Zones |
Author(s) |
Toby Francis, Ian Chesser, Saransh Singh, Tresa Pollock, Elizabeth Holm, Marc De Graef |
On-Site Speaker (Planned) |
Toby Francis |
Abstract Scope |
With the growing ability to experimentally engineer and determine the five macroscopic degrees of freedom of grain boundaries, it has become important to present statistics on grain boundary configurations in real materials. The lack of a consistent reference frame and fundamental zone given a misorientation and boundary normal makes collecting such statistics challenging. Thus, we present an alternative framework in which a grain boundary is identified by two rotations from a reference frame attached to the boundary plane. We develop an analytical approximation for the natural metric on this space, which defines the distance between two grain boundary configurations by the smallest rotations necessary to transform one configuration to the other. This framework allows us to clearly define symmetries and the shortest paths between boundaries. Examples of microstructural statistics derived from this metric are presented, and a set of open-source code packages is provided for ease of use. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |