Mobility Database

PanCo2024_MB is an atomic mobility database for Co-based alloys, which is compatible with the PanCo2024_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 self-diffusivity of an element is usually described by an analytical expression. For the stable crystal structures, these expressions can be obtained using the available experimental data, while those for the metastable/unstable states are usually estimated from those of the stable states. In the following tables, we use different color to represent different status:

	:	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 elements included in the current mobility database are also assessed. Moreover, chemical-diffusivities available in some binary and ternary systems are also used to assess the interaction parameters. These binary and ternary systems are listed below for the Bcc and Fcc phases, respectively.

Fcc Phase

Bcc phase

Database Validation

The simulated concentration profiles of a series of Co-based alloys are used to validate the current mobility database for Co-based alloys. A few examples of such simulation are shown below.

Figure 1: Concentration profiles of Co0.5Ni0.5/Co0.75Cr0.25 at 1300 °C for 50h [2015Che]

Figure 2: Concentration profiles of Co0.5Ni0.5/Cr0.4Ni0.6 at 1300 °C for 50h [2015Che]

Figure 3: Concentration profiles of Co0.5Ni0.5/Cr0.4Ni0.6 at 1300 °C for 50h [2015Che]

Figure 4: Concentration profiles of Co-20.3Cr/Co-9.5W (at.%) at 1100 °C for 120h [2014Zha]

[2014Zha] W. Zhang, et al., Experimental investigation and computational study of atomic mobility in fcc ternary Co-Cr-W alloys, Calphad, 45 (2014): 118-126.

[2015Che] J. Chen, et al., Atomic mobilities, interdiffusivities and their related diffusional behaviors in fcc Co-Cr-Ni alloys. Journal of Alloys and Compounds, 621 (2015): 428-433.