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 |
Microstructural Evolution Along Geodesics |
Author(s) |
Ian Chesser, Toby Francis, Marc DeGraef, Elizabeth Holm |
On-Site Speaker (Planned) |
Ian Chesser |
Abstract Scope |
We develop a method to visualize interface properties that accounts for anisotropy in the full 5-D space of macroscopic crystallographic parameters. This method leverages the recently developed octonion metric to define distances between grain boundaries. Multidimensional scaling is used to learn the structure of grain boundary space from a matrix of pairwise octonion distances computed from a list of N grain boundaries. A low dimensional representation of grain boundary space is proposed and its connectivity is found to be consistent with existing grain boundary literature. Grain boundary energies and mobilities computed from molecular dynamics simulations are visualized in 3D for a wide range of grain boundaries, including general boundaries. Energy and mobility are found to be smooth almost everywhere in the reduced grain boundary space. Geodesics in orientation and grain boundary space are used to characterize several microstructural evolution processes: shrinkage of a cylindrical grain and compression of a nano-composite material. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |