About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Modelling the Kinetics of Phase Transformations with Non-conservative Point Defects |
Author(s) |
Frederic Soisson |
On-Site Speaker (Planned) |
Frederic Soisson |
Abstract Scope |
In metallic alloys, diffusive phase transformations occur through thermally activated jumps of point defects. Kinetic pathways and microstructure evolutions therefore depend on the point defect jump frequencies, which depend on the local atomic environment; but also on the point defect concentration, which evolves during the transformation. We present a new atomic Kinetic Monte Carlo method that explicitly takes into account the creation and annihilation of point defects at source and sink sites. It allows the simulation of phase transformation kinetics when the point defects concentration evolves with the microstructure of the system, but remains at a thermodynamic equilibrium value. The method can also be used in far from equilibrium situations, e.g. during rapid quenching or under irradiation. We present some applications of this method to the ordering of Fe-Ni alloys during thermal ageing, and to the segregation and phase separation in Fe-Cr alloys under irradiation. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Phase Transformations, Nuclear Materials |