Thermodynamic database for multi-component Mo-rich alloys

  • Thermodynamic
  • Mobility
  • Thermophysical Property: Molar Volume; Surface Tension; Viscosity


  • Number of components: 13
  • Number of phases: 208
  • Major alloying elements: Al, B, Cr, Hf, Mn, Mo, O, Re, Si and Ti
  • Minor alloying elements: C, Fe, and Zr

PanMolybdenum – Thermodynamic database (TH), Mobility database (MB), and Thermophysical property (TP) database for multi-component molybdenum alloys.

  • The current PanMo_TH thermodynamic database consists of 13 components, 208 phases, and 88 fully assessed binary and ternary systems. It can be used to describe phase equilibrium and thermodynamics of molybdenum-rich alloys.
  • The current PanMo_MB mobility database assessed mobility model parameters for the Liquid, Bcc, Fcc, and Hcp solution phases. It is compatible with PanMo_TH and suitable for the simulation of diffusion controlled phenomena of multi-component molybdenum alloys.
  • The PanMo_TP thermophysical property database includes the molar volume database covers all the 208 phases assessed in the PanMo_TH, the surface tension and viscosity properties for the liquid phase. It can be combined with the thermodynamic database for the simulation of thermo-physical properties of Mo-based alloys, such as density, thermal expansion, and solidification shrinkage.

Solidification path of the Mo40Si25Ti35 alloy simulated by Scheil model

BSE image of the as-cast microstructure of the Mo40Si25Ti35 alloy

The calculated solidification path of the Mo40Si25Ti35 alloy using Scheil model, and the BSE image of the as-cast microstructure of this alloy. The predicted as-cast microstructure agrees with the observed one well.

Calculated liquidus projection of the Mo-Si-B ternary system with the isothermal lines.

A calculated liquidus projection of the Mo-Si-B system with experimental data.

Coupling PanMo_TH thermodynamic database with PanMo_MB mobility database, user can simulate diffusion controlled phenomena. By integrating PanMo_TH with PanMo_MV, molar volume, density, thermal expansion, and other properties can be calculated for molybdenum alloys. This is an example which compares the calculated and measured molar volume of Mo-Ti Bcc alloys.