About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Ion-electron Coupling in Energetic Radiation Damage Events |
Author(s) |
Andrea E. Sand, Antoine Clement |
On-Site Speaker (Planned) |
Antoine Clement |
Abstract Scope |
Particle irradiation gives rise to displacement damage in materials, ultimately leading to changes in a material’s physical and mechanical properties. Predictions of damage formation depend sensitively on the partitioning of the incident projectile’s kinetic energy into the atomic and electronic subsystems. Individual energetic atomic projectiles lose energy to electrons through the process of electronic stopping. On the other hand, electrons and atoms interact in equilibrium conditions via electron-phonon coupling. Atomistic simulations of radiation-induced collision cascades show that the cascade region transitions gradually and non-uniformly towards equilibrium. The large difference in the strength of the coupling parameter describing electronic stopping compared to electron-phonon coupling indicates that neither model can fully capture the energy transfer during this transition. In this talk, I will present recent advances in ab initio based modeling of atom-electron interactions during collision cascades, and the effects of the energy transfer models on predictions of cascade damage. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nuclear Materials |