Thermophysical Property Database
The thermophysical property database PanHEA2024_TP is compatible with the PanHEA2024_TH thermodynamic database and suitable for the simulation of thermophysical properties of high entropy 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 687 phases assessed in the PanHEA2024_TH database. It is used to calculate the density, thermal expansion, solidification shrinkage of high entropy alloys (HEA).
Figure 1 shows the calculated linear thermal expansion coefficients (CTE) for alloys with equiatomic ratio in the Co-Cr-Fe-Ni system (binary CoNi, ternary CoCrNi, CoFeNi, CrFeNi, and quaternary CoCrFeNi), which are in good agreement with the experimental measurements in the literature [2018Lap]. Figure 2 shows calculated density contour mapping of the Co-Cr-Fe-20Mn-20Ni (at.%) at 1000 °C. One can see that the stable phase regions include Fcc single phase field and Bcc+Fcc two-phase field in this isothermal section. The density of these HEAs at 1000 °C will vary between 7.2~7.9 g/cm3.
Figure 1: Calculated linear thermal expansion coefficient of the HEAs within the Co-Cr-Fe-Mn-Ni system with experimental data from ref. [2018Lap]
Surface Tension
The surface tension of the liquid phase is added into the property database. Figure 3 shows the surface tension of CoCrFeMnNi high entropy alloy.
Viscosity
The viscosity of the liquid phase is added into the property database. Figure 4 shows the viscosity of CoCrFeMnNi high entropy alloy.
[2018Lap] G. Laplanche, et al., Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy. Journal of Alloys and Compounds, 746 (2018): 244-255.