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Ab initio calculations of the uranium–hydrogen system: Thermodynamics, hydrogen saturation of α-U and phase-transformation to UH3

Uranium–hydrogen SystemEngineeringNuclear PhysicsPhysicsHydrogen TransitionNatural SciencesAb Initio CalculationsHydrogen SaturationNuclear MaterialsComputational ChemistryQuantum ChemistryChemistryHydrogenNuclear EngineeringAb-initio Method