Pandat

Pandat is a versatile software package for simulating materials properties in multicomponent systems. Pandat combines a powerful calculation (PanEngine) with a user-friendly Microsoft Windows-based graphical interface. The basic structure and major function of Pandat are:

        

Unique features of Pandat:

• Automatic calculation engine always finds the stable phase equilibria and never asks for initial values.
• Automatic calculation leads to the friendly user interface for simple set-up of calculations conditions.
• Flexible table and graph functions allow users to create customizable and high-quality graphs for publication.
• An integrated workspace for simulating materials properties such as thermodynamics, kinetics and thermophysics.

 

Automatic Search of Stable Phase Equilibrium

Pandat Automatically Finds Correct and Global Stable Phase Equilibrium α+β₂:

• User doesn't need to guess initial values, even for miscibility gaps
• Easier for novices, more reliable for experts

             

        Gibbs energy vs. molar fraction diagram for α and β phases in a binary 

        system. Among the three two-phases equilibria, only α+β2 is the stable one.

Calculations on complex phase relationships in multicomponent systems are completed with only a few mouse clicks.

                

                                         An isothermal section with multiple miscibility gaps.

                                         From Chen et al,. Acta Mat. 55 (2007) 243-250

 

User Friendly Interface

Simple and Straightforward Calculation Condition Set-up

 

Flexible Gragh and Table Operation For Customizable Publication

 

Phase Diagram

Binary Phase Diagram

Isopleth Section

Isotherm Section

Liquidus Projection

 

Property

Thermodynamic Property

Pandat calculates thermodynamic properties along a line or a section, such as phase fraction, activity and Gibbs energy functions. In addition, Pandat automatically adds legend into a graph.

Weight fraction of phase vs composition

Activity vs composition

Gibbs energy vs composition

Thermophysical Property

Surface Tension

Surface tension for Al-Cu binary system at 1373k

Viscosity

Viscosity for Fe-Ni binary system with X_Ni=0.489

Kinetic Property

Self-Diffusion Coefficient

Inter-Diffusion Coefficient

 

Scheil and Lever-Rule Solidification Simulations

Solidification Sequence

Latent Heat Evolution

Liquids projection of ternary Nb-Ti-Si with superposed Scheil simulated solidification path of an alloy (Nb-10Ti-35Si)

Windows-Based Optimizer for Data Assessment

PanOptimizer is a C/C⁺⁺ software package for evaluating thermodynamic, kinetic and thermophysical model parameters based on experimental measurements. The major features are:

• Seamless integration with Pandat that allows user real time calculation and comparison based on the instantly-obtained optimized parameters.

• Versatile algorithms implemented in PanOptimizer leads to quick convergence to experimental data.

• User-friendly windows interfaces for easy communication between users and program.

Two types of optimization process were implemented in PanOptimizer: rough search and normal optimization.

Al-Zn phase diagram after rough search

Al-Zn phase diagram after normal optimization

Red denotes tie line and green denotes the invariant reaction for experimental data

Rough search is used to obtain a rough topology of a phase diagram based on the given experimental data. It is useful for quick estimation of the initial values of the model parameters at the beginning stage of the optimization procedure.

Normal optimization is used to obtain the best set of model parameters that can produce the best fit of experimental data.

 

Windows Interface of PanOptimizer

PanOptimizer is seamlessly integrated into Pandat as a specific module, which allows user to do real time calculation based on the instantly-obtained optimized parameters and make comparisons between the calculated values and the experimental data. A set of windows-based graphical user interface are deliberately designed for convenient input of the experimental data and automatic tracking of the optimization progress.

 

 

Optimization Control Panel: A console for optimization precess control and tracking.

Through the "parameter" button, user can edit and view the optimized model parameter.

 

Through the "Experimental data" button, user can edit and view the comparison between the calculated results and the experimental data.

 

 

Batch Files

The batch calculation allows the user to run a series of calculations defined in a text file. For example, the user can set up a long series of calculations and let them run over the lunch hour.

PanEngine

The multi-component calculation engine used in Pandat is also available as a separate product. PanEngine is a Dynamically Linked Library (DLL) that can be used to create custom software applications such as solidification simulations, casting models, or diffusion calculations. Click here for more information about PanEngine.

Downloads

Try it! Download an interactive movie and a brochure.

System Requirements:

• Microsoft Windows 98/Me/NT/2000/XP or later operating system
• 128MB memory
• 10MB of hard-disk space
• SVGA or higher resolution video adapter
• CD-ROM

Purchase Pandat directly from CompuTherm LLC