A Quantum Approach to Alloy Design

Electronic structure. Intermetallic compounds Charge transfer Ductility Iron alloys Electronegativity Ferrite Yield stress Heat-resistant Steel Crystal structure Metal hydride Metal oxide Martensitic transformation Hydrogen Storage Aluminide Complex hydride Electron density Al-alloys Molecular orbital method Intermetallic compound Chemical bond Hydrocarbon TiAl CALPHAD Materials Informatics Catalyst Transition metal Turbine Alloy Design Mg alloys Ni alloys Fe alloys Ti alloys Phase stability Corrosion resistance Mg alloy Atomization energy Atomization energy method Bcc metals Biomedical titanium alloys Al Alloy Alloying parameter Austenite Atomic radius Co alloy Creep stress Commercially available alloy DV-Xα molecular orbital method Electron Screening Cobalt-based superalloy creep rupture strength Cu alloy Hydrogen overpotential High strength alloys Ionic radius Local lattice strain FeAl Fe alloy Metal compounds New PHACOMP Ni alloy Nickel-based superalloy Ni3Al PHACOMP Phase field method Structural alloy Structure map Silicide Slip deformation Strain Energy Transition metal compound Molecular orbital calculation Tensile stress Working processing NiAl Precipitate hardening Solid Solubility Simple metal Ti alloy Solid Solution Hardening Twin deformation