High Throughput Calculation (HTC): Random Compositions

Purpose: Learn to run high throughput calculation by importing alloy Compositions.

Module: PanPhaseDiagram

Thermodynamic Database: AlMgZn.tdb

Calculation Procedures:

  • Load AlMgZn.tdb following the procedure in Pandat User's Guide: Load Database , and select all three components;

  • Start the HTC function from the menu "Batch Calc → High Throughput Calculation (HTC)" Then choose “solidification” as calculation type.

  • Check the “Import Alloys” box at the solidification simulation popup window, and then click the “Import” button to import the pre-prepared alloy composition file (Example_#1.24_alloys.txt).

  • Click the “Run HTC” button perform HTC simulations

  • Save the workspace of the HTC results for further analysis as mentioned in High Throughput Calculation (HTC): Pattern Compositions

Figure 1:  HTC solidification dialogs before (left) and after (right) import alloy composition file

Please refer to the Pandat User's Guide: Alloy Composition Setup for detail information of preparing the alloy composition file.