Conference Tools for 2023 TMS Annual Meeting & Exhibition

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About this Abstract
Meeting	2023 TMS Annual Meeting & Exhibition
Symposium	Algorithm Development in Materials Science and Engineering
Presentation Title	Characterization of the Evolution of the Grain Boundary Network Using Spectral Graph Theory
Author(s)	Jose Nino, Oliver Johnson
On-Site Speaker (Planned)	Jose Nino
Abstract Scope	Changes to the Grain Boundary Network (GBN) caused by grain growth influence the final properties of the microstructure. If we could characterize the structure of GBNs, then it would be possible to perform design/optimization for improved material performance. However, the structure of GBNs is highly complicated. Traditional microstructural descriptors like orientation distribution function or even grain boundary character distribution fail to encode the main features of the GBN, including, e.g., its topological structure and the spatial distribution of GB types. For this reason, we apply a computational technique called Spectral Graph Theory which allows us to encode the GB character information as well as the topological structure of the GBN. We calculate and analyze the spectrum of several microstructures from grain growth simulations. Finally, we develop a reconstruction method to obtain the microstructure from its spectrum and evaluate whether the spectrum encodes the main features of the GBN.
Proceedings Inclusion?	Planned:
Keywords	Characterization, Computational Materials Science & Engineering,

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