PanOptimizer: Thermodynamic, thermophysical, kinetic and user-defined properties optimization view documentations

PanOptimizer is a module for optimizing thermodynamic, kinetic and thermo-physical model parameters using experimental data. The module allows users to develop their own databases or model parameters for customized applications. This module is also easy to master by students who want to learn thermodynamic modeling. User needs to prepare a tdb and a pop files to perform optimization. The following is an example for optimization of the binary Al-Zn system.

Figure 1. Comparisons between calculated results and experimental data before the optimization.

Figure 2. The sum of squares after two and three rounds of optimization.

Figure 3. Comparisons between the calculated results and the experimental data after optimization.

Basic Functionalities of PanOptimizer Module

  • Load/Compile experimental data file: Load/Compile user prepared experimental data file for model parameter optimization
  • Append experimental data file: Append more experimental data from different data file
  • Rough Search: Global/Local search of initial values of model parameters for obtaining the phase diagram topology of a system
  • Optimization control panel: set boundaries for the model parameters to be optimized, select experimental data to be used, and assign weight to each set of experimental data
  • View optimization parameters: View/Edit model parameters to be optimized
  • Open optimization results: Open the saved intermediate optimization results including the model parameters and experimental data
  • Save optimization results: Save the intermediate optimization results during the optimization process including the model parameters and experimental data