Calphad-computer Coupling Of Phase Diagrams And Thermochemistry

Electronic and structural properties of low-index L1(2)-Al3Zr surfaces by first-principle calculations

A CALPHAD assessment of the Al-Mn-C system supported by ab initio calculations

CpFit program for approximation of heat capacities and enthalpies by Einstein-Planck functions sum

Thermodynamic description of the Ti-Mo-Nb-Ta-Zr system and its implications for phase stability of Ti bio-implant materials

Enthalpies of formation of rare-earth borides from first principles. Comparison with experimental values

Assessment of atomic mobility for BCC Ti-Mn and Ti-Al-Mn alloys

Thermodynamic modeling of the Al-C-Mn system supported by ab initio calculations

Development of a multicomponent reaction rate model coupling thermodynamics and kinetics for reaction between high Mn-high Al steel and CaO-SiO2-type molten mold flux

The Thermodynamic Database Database

Re-evaluation of the thermodynamic equilibria on the zirconia-rich side of the ZrO2-YO1.5 system