Hybrid calphad DFT modelling of the Mg–Al–Ca system
Bengt Hallstedt, Mehdi Noori
Topics & Concepts
CALPHADLaves phaseDensity functional theoryThermodynamicsMaterials scienceWork (physics)Consistency (knowledge bases)Phase diagramPhase (matter)IntermetallicChemistryComputational chemistryMetallurgyAlloyPhysicsMathematicsGeometryOrganic chemistryMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites PropertiesHydrogen Storage and Materials