Single Equilibrium Calculation Examples

This example shows how to calculate a single equilibria in a low alloyed Fe-Mn-Si-Cr-Ni-C steel. There are two common ways to perform a single equilibrium calculation:

  • Get data from a database, then in POLY use SET_CONDITION and COMPUTE_EQUILIBRIUM.
  • Go directly to POLY and use DEFINE_MATERIAL.

The COMPUTE_TRANSITION command is also used to determine the temperature or composition where one phase forms or disappears. It is the same as the CHANGE_STATUS → SET_CONDITION→ COMPUTE_EQUILIBRIUM sequence of commands.

A STEP_WITH_OPTIONS command using the option normal is also used in addition to the other commands that should be becoming more familiar as you work through the examples.

This uses the TCFE database. A license is required to run the example.

This example calculates the A3 temperature of a steel and examines the influence of each alloying element on this temperature.

A3 temperature is the temperature where ferrite starts to form from austenite. You can easily read A3 from an Fe-C phase diagram. However, for complex multicomponent steels no simple diagram can be used. Using POLY, it is easy to find out the influence of each alloying element on the A3 temperature. This information is useful if you want to modify the compositions of a steel but keep A3 unchanged.

This uses the TCFE database. A license is required to run the example.

These commands are of note and used in this example:

This example calculates the adiabatic decompression in a geological system using the geochemical database. The database is included with the file named PGEO.TDB, which is in the same folder as this example.

These commands are of note and used in this example: