Mobility Database
PanRHEA2024_MB is an atomic mobility database for refractory high entropy alloys(RHEA), which is compatible with the PanRHEA2024_TH thermodynamic database and suitable for the simulation of diffusion-controlled phenomena using the PanDiffusion module, PanEvolution module, and/or PanSolidification module.
Phases
The atomic mobility within the Liquid, Bcc, Fcc, and Hcp solution phases are assessed in this database.
Self-diffusivity of Pure Elements
The color represents the following meaning:
| : | Validated | |
| : | Estimated | |
| : | No data |
|
Assessed Systems
In addition to the assessed self-diffusivities shown above, the impurity diffusion data for all included elements in the current PanRHEA2024_MB database are also assessed. In the following, the assessed chemical-diffusivity within the binary and ternary systems for the Bcc and Fcc phases are listed, respectively.
Fcc Phase
Bcc phase
Database Validation
The simulated concentration profiles of a series of refractory alloys are shown below to validate the current PanRHEA2024_MB database.
Figure 1 shows the calculated inter-diffusion coefficients of Nb within the Bcc Nb-X (X=W, Zr) binary systems using the current PanRHEA_MB database. It indicates that our calculations can well describe the experimental data from literature [2013Liu, 2008Liu].
Figure 1: Comparison of the calculated inter-diffusion coefficients of Nb in the Bcc Nb-W and Nb-Zr alloys with experimental measurements of [2013Liu] and [2008Liu], respectively
Figure 2 shows the simulated concentration profiles of Mo-Ta and Mo-W binary alloys at 2173K and 2318K, respectively. Good agreement between the calculations and experimental data validates the reliability of the current PanRHEA_MB database.
Figure 2: Comparison of the simulated concentration profiles of Bcc Mo-Ta and Mo-W binary alloys with experimental measurements of [2012Liu]
[2008Liu] Y. Liu, et al., Study of diffusion mobilities of Nb and Zr in bcc Nb-Zr alloys. Calphad, 32 (2008): 455-461.
[2012Liu] Y.J. Liu et al., Diffusion characteristics and atomic mobilities for bcc refractory Mo–Ta, Mo–W, and Mo–Nb alloys. CALPHAD, (2012), 36: 110-117.
[2013Liu] Y. Liu, et al., Mobilities and diffusivities for bcc Nb-W, Nb-Ta, Zr-Mo and Zr-Hf alloys. Journal of Alloys and Compounds, 555 (2013): p. 381-389.