About this Abstract |
Meeting |
2024 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 |
Impact of Thermal Vacancies on Chemical Ordering Kinetics in Complex Concentrated Alloys |
Author(s) |
Yongfeng Zhang, Anus Manzoor |
On-Site Speaker (Planned) |
Yongfeng Zhang |
Abstract Scope |
Chemical ordering such as short-range order (SRO) is omnipresent in complex concentrated alloys (CCAs) due to preferential mixing of certain pairs of elements. Predicting the kinetics of SRO development from random solid solutions (RSSs) remains a challenging task because of concurrent evolving of chemical ordering and vacancy thermodynamics and kinetics, which are interdependent on each other. By coupling atomistic calculations, machine learning, and statistical mechanical theories, this work presents a framework for predicting the temperature-time-ordering diagram in CCAs. Taking NiCrCo as the model system, we will highlight i) the thermodynamic models for computing evolving thermal vacancy concentration, ii) the impact of SRO on the concentration, spatial distribution, and diffusion properties of vacancy, iii) the importance of considering concurrent evolutions of SRO and vacancy thermodynamics and kinetics. The impact of heterogeneous vacancy distribution on element-resolved tracer-diffusivity will also be highlighted. The framework will be valuable for understanding diffusion kinetics in CCAs. |
Proceedings Inclusion? |
Planned: |
Keywords |
High-Entropy Alloys, Modeling and Simulation, Machine Learning |