Mobility Database

PanZn2026_MB is an atomic mobility database for zinc alloys, which is compatible with the PanZn2026_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:

Table 2.1: 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 PanZn_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 zinc alloys are shown below to validate the current PanZn_MB database.

Figure 2.1 shows the calculated self-diffusion of Zn and inter-diffusion coefficients of Zn within the Hcp Zn-X (X=Cu, Cd, Sn) binary systems using the current PanZn_MB database. The calculated results are in good agreement with the experimental data.

Figure 2.1: left: self-diffusivity of pure Zn; right: inter-diffusion coefficients of Zn-X (X=Cu, Cd, Sn) systems in Hcp phase.

Figure 2.2 shows the simulated concentration profiles of Cu-Zn binary system aged at 380 °C for 25h.

Figure 2.2: Concentration profiles of Cu-Zn (at.%) aged at 380°C for 25h