Pandat Software
Pandat software is an integrated computational environment for phase
diagram calculation and materials property simulation of multi-component
systems based on CALPHAD (CALculation of PHAse Diagram) approach. It
combines powerful calculation engines including PanEngine (thermodynamic
calculation), PanOptimizer (property optimization) and
PanPrecipitation
(precipitation simulation) with a user-friendly Microsoft Windows-based
graphical interface (PanGUI). Complex calculations are completed with only a
few mouse clicks. It is easy for a novice to use and effective for an
expert. The architecture of Pandat software is schematically shown in the
Figures 1 & 2 . More detailed information about Pandat software can be found
in [2002Che
,
2003Che
,
2008Cao
].
Figure 1. The top level module dependencies for PANDAT
(from
2008Cao
).
Figure 2. Software architecture of PANDAT (from
2008Cao
).
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 α1+β as shown in Figure 3:
- User doesn't need to guess initial values, even for miscibility gaps
- Easier for novices, more reliable for experts
- Calculations on complex phase relationships in multi-component systems
are completed with only a few mouse clicks.
Figure 3. Gibbs energy vs. molar fraction diagram for α
and β phases in a binary system. Among the three two-phases equilibria, only α1+β is the stable one
(from
2002Che).
Figure 4. An isothermal section with multiple miscibility
gaps (from
2007Che)
User Friendly Interface
Simple and straightforward calculation
condition set-up:
Figure 5. Dialog window of Calculate Section (2D).
Figure 6.
Calculated Nb-Ti-Si isothermal section with tie-lines
Flexible Graph and Table Operation For Customizable
Publication:
Figure 7. Create a graph from the user-defined Table
through Create Graph.
Figure 8.
Customized graph displaying the Gibbs energy vs x(Si) in the Nb-Si
system
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.
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