About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
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Symposium
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AI/Data Informatics: Computational Model Development, Validation, and Uncertainty Quantification
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Presentation Title |
Examining the Effects of Grain Boundary Structure Variability, Solute Atoms, and Interatomic Potential on the non-Arrhenius Migration of Incoherent Twin Grain Boundaries in Nickel |
Author(s) |
Akarsh Verma, Eric R. Homer, Oliver K Johnson, Shigenobu Ogata, Gregory B Thompson |
On-Site Speaker (Planned) |
Akarsh Verma |
Abstract Scope |
Migration of incoherent twins is unique in comparison with other grain boundaries because some incoherent twins migrate at relatively high velocities and don’t follow expected Arrhenius temperature dependence. This antithermal behavior, slower migration at higher temperatures, can emerge from a combination of thermally activated processes. However, since a given incoherent twin in a real material will have variability in structure and impurities, we examine the effects structural variability and solute content have on the observed migration behaviors. Additionally, it is known that empirical potentials cannot replicate the exact behaviors of a given material, so we compare various interatomic potentials for variability of the measured response. Uncertainty quantification methods are used in assessing the boundary migration velocity. The variability in response to metastability, solute content, and potential are not quantified but discussed qualitatively to gain insight into how they might impact the behavior in real materials. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Other, |