The binary Ba-Ni and Ba-Ti systems are modeled by computational thermodynamics using the CALculation of PHAse Diagram (CALPHAD) method, wherein the thermodynamic parameters of disordered bcc, fcc and hcp phases are evaluated in terms of the first-principles calculations using the special quasirandom structures (SQSs). In combination with the Ni-Ti system modeling in the literature, the phase equilibria of the Ba-Ni-Ti system are predicted. Isothermal section of the ternary system is presented.
All Science Journal Classification (ASJC) codes
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry