Publication | Closed Access

First-principles calculations of energetics of sigma phase formation and thermodynamic modelling in Fe–Ni–Cr system

Thermodynamic ModellingFirst-principles CalculationsChemical ThermodynamicsEngineeringPhysicsPhase EquilibriumNatural SciencesApplied PhysicsComputational ChemistryThermodynamicsChemistryQuantum ChemistryEquilibrium Thermodynamic PropertySigma Phase FormationAlloy Phase