Machine-Learned Potentials for Radiation Damage in Superconductors
Analysis
Key Takeaways
- •Machine-learned interatomic potentials (ACE and tabGAP) provide more accurate modeling of radiation damage in YBCO compared to empirical models.
- •The models accurately reproduce DFT energies and predict cascade evolution, including defect production and recombination.
- •Total defect production is weakly dependent on oxygen stoichiometry, offering insights into the robustness of radiation damage processes.
- •Simulations reveal amorphous regions comparable to the superconducting coherence length, consistent with experimental observations.
“Molecular dynamics simulations of 5 keV cascades predict enhanced peak defect production and recombination relative to a widely used empirical potential, indicating different cascade evolution.”