Investigating superalloys using machine learning

In 2006, Sato et al., reported a new cobalt-based superalloy (Al-Co-W) that demonstrated superior mechanical properties compared to conventional nickel-based superalloys. We explore this ternary alloy system in detail to understand the phase stability of the Co-alloy. We perform this study using a class of systematically improvable potentials called Moment Tensor Potentials (MTP) which is a machine learning interatomic potential for approximating quantum-mechanical energies. We detail this process on the aforementioned Al-Co-W system and show how it can be broadly applied to any binary or ternary alloy systems.