Ab initio simulations on the pure Cr lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr binary systems
Songge Yang, Yi Wang, Zi‐Kui Liu, Yu Zhong
Topics & Concepts
CALPHADAb initioThermodynamicsAb initio quantum chemistry methodsLattice (music)Binary numberMaterials scienceStability (learning theory)Phase diagramStatistical physicsChemistryPhase (matter)Computer sciencePhysicsMathematicsMoleculeMachine learningOrganic chemistryArithmeticAcousticsNuclear Materials and PropertiesHigh Temperature Alloys and CreepIntermetallics and Advanced Alloy Properties