Accelerating CALPHAD-based phase diagram predictions in complex alloys using universal machine learning potentials: Opportunities and challenges
Siya Zhu, Doğuhan Sarıtürk, Raymundo Arróyave
Topics & Concepts
CALPHADMaterials sciencePhase diagramPhase (matter)DiagramThermodynamicsSystems engineeringMetallurgyComputer scienceEngineeringDatabasePhysicsChemistryOrganic chemistryMachine Learning in Materials ScienceMicrostructure and Mechanical Properties of SteelsHydrogen embrittlement and corrosion behaviors in metals