DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System
Ling Fan, Chen Shen, Kun Hu, Huashan Liu, Hongbin Zhang
Topics & Concepts
CALPHADIntermetallicThermodynamicsDensity functional theoryGibbs free energyPhase diagramMaterials scienceBinary numberHeat capacityPhase (matter)ChemistryComputational chemistryPhysicsMetallurgyArithmeticAlloyMathematicsOrganic chemistryMagnetic Properties of AlloysRare-earth and actinide compoundsMetallurgical and Alloy Processes