PanRHEA
Database for refractory high entropy alloys (RHEA)
- Thermodynamic
- Mobility
- Thermophysical Property: Molar Volume; Surface Tension; Viscosity
PanRHEA
PanRHEA Quick Overview
![](https://computherm.com/wp-content/uploads/2024/04/PanRHEA_2024_Elements.png)
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Number of components: 22
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Number of phases: 509
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Major alloying elements: Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, W, Y and Zr
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Minor alloying elements: B, C, H, N and O
PanRHEA – Thermodynamic database (TH), Mobility database (MB), and Thermophysical property (TP) database for refractory high entropy alloys (RHEA).
- The current PanRHEA_TH thermodynamic database consists of 22 components, 509 phases. 219 binaries and 204 constituent ternaries have been critically assessed.
- The current PanRHEA_MB mobility database includes assessed mobility model parameters for the Liquid, Bcc, Fcc, and Hcp solution phases. It is compatible with the PanRHEA_TH and suitable for the simulation of diffusion controlled phenomena of multi-component RHEAs.
- The PanRHEA_TP thermophysical property database includes the molar volume (MV) database covers all the 509 phases assessed in the PanRHEA_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 RHEA alloys, such as density, thermal expansion, and solidification shrinkage.
Applications
![](https://computherm.com/wp-content/uploads/2022/09/PanRHEA_TH_02.png)
Equilibrium calculation of the Hf0.5Nb0.5Ta0.5Ti1.5Zr RHEA alloy
The calculated phase equilibrium of the Hf0.5Nb0.5Ta0.5Ti1.5Zr vs. temperature using the PanRHEA database shows that the Bcc phase is stable within a large temperature range and three phases (Bcc#1+Bcc#2+Hcp) coexist at 500 °C, which is consistent with the experimental observations well in the literature.
This example shows the simulated concentration profile of Mo-W binary alloys at 2318 K in good agreement with the experimental data.
![](https://computherm.com/wp-content/uploads/2024/04/PanRHEA_MB_02b.png)
Concentration profiles of Bcc Mo-W at 2318K for 100h
![](https://computherm.com/wp-content/uploads/2024/04/PanRHEA_MV_01a.png)
Calculated molar volume of Bcc Mo-Ti at 298 K compared with experimental data
This example shows the calculated molar volume of Bcc Mo-Ti at 298 K in good agreement with the experimental data.