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Highlighted Features

  • Integrated platform with modular design: users can perform variety types of simulations in the same working environment and switch between modules easily. Software capability can be further extend for more applications by including more modules.

  • Robust thermodynamic calculation engine: global minimization algorithm guarantees PanEngine to automatically find the global equilibrium. PanEngine is shared by all the modules in the software package, which guarantees the consistent simulation results from different modules.

  • Friendly graphical user interface: the easy to use interface allows users to perform complicated simulations by a few mouse-clicking. User input conditions can be saved and reloaded for future calculations.

  • Powerful table and plot function: users can create variety of plots using data in the default table and exported them as different formats, such as emf, bmp, jpg, png, and gif. Users can also create new tables and generate new plots.

  • Batch calculation through script files: this function allows users to calculate hundreds of calculations by loading one script file, and the simulation results can be output to data file or saved as XML format.

  • High throughput calculation (HTC): the purpose of high-throughput calculation is to perform thousands of calculations at user-defined compositions with or without pattern by a simple setting. Alloy compositions that satisfy user-defined criteria can then be searched through data mining of the simulated results. This function allows a user to develop alloys with certain properties through design. The searched results can be listed in a table or presented as a color map.

  • Append database: user can append a custom-made database (tdb) to an original database (either tdb or pdb). This allows user to modify/replace the model parameters, add new parameters, or add new phases to the original database.

  • User-defined properties: this feature allows user to calculate any property of interest by defining the property models and model parameters in the custom-made database (tdb). The user defined property can be a function of any thermodynamic properties that can be obtained from the original thermodynamic database.

  • Workspace can be saved and reopen: Pandat calculated results can be easily saved in the workspace. This workspace can be shared and open by other Pandat users. This allows users in the same group to share the simulation results and edit the figures and tables without the need of repeat calculations.

  • Console Mode: In addition to the GUI mode, Pandat can run in the console mode. The console mode allows user to run Pandat with a batch file without opening Pandat GUI. It is designed for users who want to integrate Pandat calculation with third party software which need to call Pandat numerous times.

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