Zhangting He

Third generation Calphad: A case study of the Fe–Cr–Ni system and its binary subsystems

Thermodynamic descriptions of the binary Fe–Cr, Cr–Ni and Fe–Ni systems are evaluated in the present work using the most recent third generation Calphad models. The assessment incorporates formation energies of ordered fcc and bcc and σ compounds obtained from Density Functional...