Thermophysical Property Database

The thermophysical property database PanFe2024_TP is compatible with the PanFe2024_TH thermodynamic database and suitable for the simulation of thermophysical properties of Fe-based alloys. It includes the molar volume data for all the phases, surface tension and viscosity properties for the liquid phase.

Molar Volume

The current molar volume database covers all 704 phases assessed in the PanFe2024_TH database. It is used to calculate the density, thermal expansion, solidification shrinkage of Fe-based alloys.

The simulated density changes vs. temperature of a series of Fe-based alloys are shown below to validate the current PanFe2024_MV database.

Figure 1: Molar volume of Fe-Ni Fcc alloys [1972Shi, 2005Mis]

Figure 2: Molar volume of Fe-Si Bcc binary alloys at 298K [2006Hal]

Surface Tension

The surface tension of the liquid phase is added into the property database. Figure 3 shows the surface tension of Fe-Mn alloys in comparison with experimental data.

Figure 3: Surface tension of Fe-Mn alloy

Viscosity

The viscosity of the liquid phase is added into the property database. Figure 4 shows the viscosity of a Fe-Cr-Ni alloy in comparison with experimental data.

Figure 4: Viscosity of the Fe-24Cr-64Ni alloy

[1972Shi] M. Shiya, Lattice parameter and magnetic moment in 3D transition metal alloys: The origin of Invar Effects. IEEE transactions on magnetics, 8(3) (1972): 666-669.

[2005Mis] Y. Mishin, M.J. Mehl and D.A. Papaconstantopoulos, Phase stability in the Fe–Ni system: Investigation by first-principles calculations and atomistic simulations. Acta Materialia, 53 (2005): 4029-4041.

[2006Hal] B. Hallstedt, Molar volumes of Al, Li, Mg and Si. Calphad, 31(2) (2006): 292-302.