PhasePot has three main modules, which are integrated into a single Windows-based program. The user can select the desired module, i.e. the module that fits best the intended simulation, once the program starts. Each module has a specific set of features that are customised to handle different types of problems, for example:

  • Standard: dendritic growth; solute and disorder trapping; order-disorder transition

  • Multiphase: solid-state phase transformation; grain-boundary segregation

  • Electro-deoxidation: direct reduction of oxides by electrolysis

Here is a summary of the available features:

Feature  \\  Module



Standard

Multiphase

Electro-deoxidation







 Phase-field parameters



1

3

1

 Concentration variables



2

1

1

 Chemical order variables

3

-

-

 Phase-field calculation



yes

yes

-

 Orientation calculation

yes

yes

-

 Mass transfer calculation

yes

yes

yes

 Heat transfer calculation



yes

-

-

 Electric field calculation

-

-

yes

 Electrochemical reactions

-

-

electro-deoxidation &
electro-reduction

 Thermodynamic modelling



free energy plots &
phase diagram

free energy plots &
phase diagram

-

 Interface anisotropy

solid/liquid &
grain boundary

interphase &
grain boundary

-

 Non-equilibrium kinetics



solute & disorder
trapping effects

-

-

Build up, run and explore a model that best fits to the intended application, using any of these modules, in just three steps:

1. Pre-Processing

The model parameters can be uploaded from an input file, keyed in from scratch, or built around the existing default model. The parameters are grouped into three categories:

  • Materials parameters
  • Process parameters
  • Solver settings

The part on materials parameters includes a built-in CALPHAD-type database that works for all pure elements and for certain binary systems. All parameters are editable, and most have an explicit and comprehensible physical meaning. The consistency of the input parameters and their appropriateness can be checked with a toolbox. This toolbox includes an option to calculate and display phase diagrams.

The screenshot below shows an example of the dialog box for materials input data:


 
Most dialog boxes have an "INFO" button to provide help as you walk through the module.
 

2. Running

After setting up the model and checking the parameter consistency, the simulation can be started and controlled easily via simple toolbar buttons:

  

In addition to the main simulations, PhasePot can be used to calculate and display phase diagrams and the related thermodynamic functions, as a part of consistency check of the input parameters. The screenshots below show examples of the corresponding output for three phases in the Fe-C system:


Both stable and metastable phases are considered in thermodynamic calculations.
 

3. Visualisation / Post-Processing

The simulation results, which can come in the form of 2D maps of field variables, profiles, or history graphs, are displayed at the prescribed time intervals whilst the program is running. They can also be saved into files, which can be uploaded and investigated later. The output data can include: the phase field, the orientation field, the temperature field, concentration fields, various thermal histories (including the DSC trace), profiles of field variables along a path, and the phase diagram.

The screenshot below shows an example of the output data:


There are two graphical display panes, 2D Maps and Graphs, for various plots of field and history output.