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 |
Mean-field Prediction of Short-range Ordering/Clustering Kinetics in Binary FCC Solid Solution Alloys |
Author(s) |
Anas Abu-Odeh, Blas Uberuaga, Mark Asta |
On-Site Speaker (Planned) |
Anas Abu-Odeh |
Abstract Scope |
The presence of short-range ordering (SRO) or clustering (SRC) in concentrated solid solution alloys has been shown to affect their mechanical properties. However, it is uncertain how long of an annealing time is required to reach an equilibrium SRO/SRC state. Being able to predict this facilitates the design of experiments dependent on SRO/SRC and provides the time dependence of properties that are a function of SRO/SRC. Kinetic Monte Carlo (kMC) simulations provide an avenue for these predictions but are dependent on parameterizing vacancy transition state energies which can be computationally expensive to calculate. We present comparisons of SRO/SRC kinetics in model FCC binary solid solutions obtained from kMC as well as a mean-field method (MFM). The MFM predicts relaxation kinetics that are typically within an order of magnitude of those obtained from kMC. The MFM requires much simpler inputs than kMC and can be extended to multicomponent systems. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Other |