Machine learning of phase diagrams
J. Lund, H. Wang, Richard D. Braatz, R. Edwin Garcı́a
Abstract
A ML strategy is presented to infer the free energy state functions by using phase diagram images as input, resulting in optimized properties 3–5 orders of magnitude faster and dramatically increased accuracy as compared to current approaches.
Topics & Concepts
Phase diagramPhase (matter)Computer scienceDiagramEnergy (signal processing)Current (fluid)Magnitude (astronomy)AlgorithmStatistical physicsArtificial intelligenceMathematicsStatisticsPhysicsThermodynamicsAstronomyQuantum mechanicsDatabaseMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy TechniquesX-ray Diffraction in Crystallography