Thermodynamic Database for Titanium-Based Alloys

  • thermodynamic
  • mobility
  • molar-volume


  • Number of components: 20
  • Number of phases: 320
  • Major alloying elements: Al, Cr, Cu, Fe, Mo, Nb, Ni, Sn, Ta, Ti, V, W and Zr
  • Minor alloying elements: B, C, H, Mn, N, O and Si

PanTitanium – Thermodynamic database (TH), Mobility database (MB), and Molar volume (MV) database for multi-component titanium alloys.

  • The PanTi_TH thermodynamic database consists of 21 components, 333 phases and 171 fully assessed binary and ternary systems. The database is validated by many Ti-based alloys.
  • The PanTi_MB mobility database includes assessed mobility model parameters for the Liquid, Bcc, Fcc, and Hcp solution phases. It is compatible with PanTi_TH and suitable for the simulation of diffusion controlled phenomena of multi-component titanium alloys.
  • The PanTi_MV molar volume database covers all the 333 phases assessed in PanTi_TH, and can be combined with the thermodynamic database for the simulation of thermo-physical properties of Ti-based alloys, such as density, thermal expansion, and solidification shrinkage.

Comparison between predicted and observed beta transus for more than 150 Ti64 heats

Beta transus, the temperature at which α starts to form from β, is an important reference parameter in the selection of processing conditions, such as heat treatment process, for the conventional α-β type of titanium alloys. This temperature has been calculated for a large number of Ti64 and other titanium alloys using PanTi-TH. The example shows a comparison between the predicted and observed beta transus temperatures for more than 150 Ti64 heats, and reasonable agreement is obtained.

Calculated beta approach curve for a Ti64 alloy

This is an example of calculation of beta approach curve for a Ti64 alloy. The experimental data are also plotted on the figure for comparison.

By integrating PanTi_MB and PanTi_MV with PanTi_TH, the combined database can be used to simulate diffusion-controlled phenomena and thermo-physical properties of titanium alloys. This example shows a simulation for diffusion couple Ti-5.9Al/Ti-4.8Cr (at%) annealed at 1473K for 18 hours.

Concentration profiles of Ti-5.9Al/Ti-4.8Cr (at.%) annealed at 1473K for 18h

An example shows a calculation comparing the calculated and measured molar volume of Ti-V alloys in Bcc and Hcp.

Molar volume of Ti-V Bcc and Hcp binary alloys at 298K