| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Elucidating Microstructural Evolution Under Extreme Environments
|
| Presentation Title |
A Theoretical Underpinning of Defect Free Energy in Phase Field Modeling of Void Evolution in Irradiated Solids |
| Author(s) |
Sreekar Rayaprolu, Anter El-Azab |
| On-Site Speaker (Planned) |
Sreekar Rayaprolu |
| Abstract Scope |
Free energy in phase-field models is a functional consisting of local and non-local energy terms. The local term contains the free energy of bulk phases, while the non-local terms represent an energy penalty due to the presence of interfaces. In the case of a single-component system with point defects, the non-local energy terms capture the interaction energies between vacancies and self-interstitials through the gradients of the corresponding field variables. In the past, nominal values were assumed for the coefficients of these gradient terms because most of the phase-field models were qualitative. In this work, we derived analytical expressions for all the gradient and Landau coefficients based on physical material properties. With the thermodynamics of both matrix and void phases accurately pinned, in this work, we studied the impact of the gradient coefficients for the defect-defect interaction energies on the single-void kinetics using a phase-field model of type C. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Phase Transformations |