Thermodynamic database for multi-component Nb-rich alloys
Al, Cr, Fe, Hf, Mo, Nb, Re, Si, Ta, Ti, V, W and Zr
– Thermodynamic database (TH), Mobility database (MB), and Molar volume (MV) database for multi-component Niobium-rich alloys.
- The PanNb_TH thermodynamic database consists of 13 components, 131 phases and 93 fully assessed binary and ternary systems. The database is validated by many refractory alloys.
- The PanNb_MB mobility database assessed mobility model parameters for the Liquid, Bcc, Fcc, and Hcp solution phases. It is compatible with the PanNb_TH and suitable for the simulation of diffusion controlled phenomena of multi-component niobium alloys.
- The PanNb_MV molar volume database covers all the 131 phases assessed in PanNb_TH, and can be combined with the thermodynamic database for the simulation of thermo-physical properties of Nb-based alloys, such as density, thermal expansion, and solidification shrinkage.
An example compares the simulated solidification paths with an experimentally observed micrograph for the six- component Nb-22Ti-2Hf-4Cr-3Al-16Si alloy. The primary solidified phase is Nb5Si3.
Simulated solidification paths for the Nb-22Ti-2Hf-4Cr-3Al-16Si alloy using Scheil and lever-rule models with experimental observation
Calculated liquidus projection of the Nb-Ti-Si system together with experimental data
The calculated liquidus projection of the Nb-Ti-Si system with experimental data. The symbols of experimental data denote that the primary solidification phases observed in the as-cast microstructure of the alloy
Coupling PanNb_TH thermodynamic database with PanNb_MB mobility database, user can calculate mobility and diffusivity, and simulate diffusion controlled phenomena. Integrating PanNb_TH with PanNb_MV, molar volume, density, thermal expansion, and other properties can be calculated for niobium alloys. This is an example which compares the calculated and measured molar volume of Nb-Ti Bcc alloys.
Calculated and measured molar volume of the Nb-Ti Bcc binary alloys at 298K