About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
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Symposium
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Local Ordering in Materials and Its Impacts on Mechanical Behaviors, Radiation Damage, and Corrosion
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Presentation Title |
Structural Transitioning in Near Boundary Segregation Zones due to Chemical Ordering in NbMoTaW |
Author(s) |
Doruk Aksoy, Megan J. McCarthy, Ian Geiger, Timothy J. Rupert |
On-Site Speaker (Planned) |
Doruk Aksoy |
Abstract Scope |
Chemical ordering affects microstructural stability in environments where several elements compete for the same atomic sites. Moreover, interfaces introduce additional instability through increased variation of local atomic environments. In this work, the effect of interface structure on chemical ordering is investigated in polycrystalline NbMoTaW using atomistic modeling. Hybrid Monte Carlo/molecular dynamics simulations are performed to obtain the segregation behavior and chemical ordering at and near boundaries by taking slices at different radial increments from the interface. Our results suggest that the transition regions between interface and inner grain require special consideration, because of the structural transitioning associated with the predominant structure at the interface. For instance, the A2-B2 transition occurs within these extended segregation zones, and zone width is dependent on grain size, temperature, and interface character. A better understanding of this transition could provide new avenues for complex concentrated alloy design and microstructure engineering. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Modeling and Simulation |