Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases
Massimiliano Lupo Pasini, Gang Seob Jung, Stephan Irle
Topics & Concepts
Cubic crystal systemMaterials scienceCrystal structureCrystal (programming language)AlloyNiobiumSolid solutionInteratomic potentialAtom (system on chip)ModulusBulk modulusThermodynamicsCrystallographyMolecular dynamicsComputer sciencePhysicsChemistryComputational chemistryComposite materialMetallurgyProgramming languageEmbedded systemMachine Learning in Materials ScienceHydrogen embrittlement and corrosion behaviors in metalsNuclear Materials and Properties