Dissolution of γ' Particle in γ Matrix

Purpose: Learn to perform diffusion simulation at constant temperature where a g' particle (L12, Ni3Al) dissolve into g matrix (Fcc, Ni-Al). Learn to select entered phase(s) in each region.

Module: PanDiffusion

Thermodynamic and Mobility Database: AlNi_Diff.tdb

Batch file: Example_#4.9.pbfx

Calculation Procedures:

  • Create a workspace and select the PanDiffusion module following Pandat User's Guide: Workspace;

  • Load AlNi_Diff.tdb following the procedure in Pandat User's Guide: Load Database ;

  • Click on the menu "PanDiffusion → Diffusion Simulation" and set up the calculation condition as shown in Figure 1;

  • Click on Region_1 and set the composition as 25Al-75Ni (at%), and select L12_FCC as the entered phase in “Select Phases” of “Settings for the Selected Region [Region_1]”. In Region_1, set the Diff. Length as 5 um. Click on Region_2 and set the composition as 15Al-85Ni (at%) and select Fcc as the entered phase in “Select Phases” of “Settings for the Selected Region [Region_2]”. In Region_2, set the Diff. Length as 10 um.

  • The Thermal History is at 1473 K for 100 seconds;

  • In order to set a tube geometry, select “spherical” in “Geometry”, The total number of grids (# of Grids) is 100;

  • In the settings shown in Figure 1, composition profiles at the initial and final stages, as well as at 10s, 30s, 50s and 70s, will be outputted. Click OK to perform calculations.

Post Calculation Operation:

Information obtained from this calculation:

  • Learn to set up simulation for dissolution of spherical particles;

  • After holding the material at 1473K for 100s, composition profiles can be viewed at selected stages. The interface moving from g phase to g' indicates the dissolution of g' particles.

Figure 1:  Setting of the simulation condition

Figure 2:  Calculated composition profiles at 1473 K for 10s, 30s, 50s, 70s and 100s

Figure 3:  Ni-Al phase diagram. The initial composition of left-hand side locates in the single L12-FCC phase field. The initial composition of right-hand side locates in the single Fcc phase field