Molar Volume Database

PanHEA2022_MV is a molar volume database for high entropy alloys (HEA), which is compatible with the PanHEA2022_TH thermodynamic database and suitable for the simulation of thermophysical properties of HEAs, such as density, thermal expansion, solidification shrinkage etc.

Components (19)

Ag	Al	B	C	Co	Cr	Cu	Fe	Hf	Li
Mg	Mn	Mo	Ni	Si	Sn	Ti	V	Zr

Phases

The current molar volume database covers all 565 phases assessed in the PanHEA2022_TH database.

Database Validation

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]

Figure 2: Density contour mapping of Co-Cr-Fe-20Mn-20Ni (at.%) at 1000 °C

[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.