R. Drautz

Foundational Machine‐Learning Interatomic Potential for Simulating Chemically Complex Ni‐Based Superalloys

For decades, atomistic simulation of chemically complex Ni‐based superalloys has remained beyond practical reach. Here, we apply the GRACE foundational machine‐learning interatomic potential to predict chemical ordering and stacking‐fault energetics in the γ$\gamma$ and γ′$\gamma &am...