Mobility Database

PanHEA2024_MB is an atomic mobility database for high entropy alloys (HEA), which is compatible with the PanHEA2024_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

**Table 1:** Assessed self-diffusivity of pure elements with different crystal structures

Assessed Systems

In addition to the assessed self-diffusivities shown above, the impurity diffusion data for all included elements in the current PanHEA2024_MB database are also assessed. In the following, the assessed chemical-diffusivity within the binary and ternary systems for the Bcc, Fcc, and Hcp phases are listed, respectively.

Fcc Phase

Bcc Phase

Hcp Phase

Database Validation

The simulated concentration profiles of a series of high entropy alloys are shown below to validate the current PanHEA2024_MB database.

Figure 1: Simulated concentration profiles of Co-30Cr-20Fe-30Ni/Co-20Cr-30Fe-20Ni (at.%) diffusion couple annealed at 1000 °C for 100h with experimental data (symbols) of ref. [2015Kul]

Figure 2: Simulated concentration profiles of Co22Cr29Fe22Mn5Ni22/Co22Cr17Fe22Mn17Ni22 (at.%) diffusion couple annealed at 1000 °C for 100h with experimental data (symbols) from ref. [2013Tsa]

Figure 3: Simulated concentration profiles of Co25Cr25Fe25Ni25/Ni50Cr25Fe25 (at.%) diffusion couple annealed at 1120 °C for 48h with experimental data (symbols) of ref. [2017Zha]

Figure 4: Simulated concentration profiles of Co20Cr20Fe20Mn20Ni20/ Cr20Fe20Mn20Ni40 (at.%) diffusion couple annealed at 1070 °C for 94.5 h with experimental data (symbols) of ref. [2017Zha]

[2013Tsa] K.-Y. Tsai, M.-H. Tsai and J.-W. Yeh, Sluggish diffusion in Co-Cr-Fe–Mn-Ni high-entropy alloys. Acta Materialia, 61(13) (2013): 4887-4897.

[2015Kul] K. Kulkarni and G.P.S. Chauhan, Investigations of quaternary interdiffusion in a constituent system of high entropy alloys. AIP Advances, (6) 2015: 097162.

[2017Zha] C. Zhang, et al., Understanding of the Elemental Diffusion Behavior in Concentrated Solid Solution Alloys. J. Phase Equilib. Diffus., 38 (2017): 434-444.