Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system
Chao Jiang, Robert D. Mariani, Cynthia A. Adkins
Topics & Concepts
CALPHADMaterials scienceThermodynamicsAb initioPhase diagramTernary operationSpinodal decompositionLaves phaseAb initio quantum chemistry methodsPhase (matter)Physical chemistryIntermetallicMetallurgyMoleculeAlloyChemistryOrganic chemistryProgramming languagePhysicsComputer scienceNuclear Materials and PropertiesHigh Temperature Alloys and CreepIntermetallics and Advanced Alloy Properties