PanEngine

PanEngine is a dynamically linked library (DLL) for multi-component thermodynamics and phase equilibrium calculations. It has an application program interface (API) for a user's custom program to access the functions in PanEngine. Same Unique functions in PanEngine are:

• global optimization for automatically finding the stable phase equilibria
• automatic search for liquidus surface, and calculation of liquidus slope and partition coefficient
• calculation of thermodynamic factor and mobility
• solidification simulation with Scheil and Lever-Rule

          

 

Application I: Solidification

 

PanEngine Coupling With Cellular Automaton Model (CA)

Cellular automation model is a powerful tool for the simulation of microstructure evolutions during solidification of alloys. A direct coupling of cellular automaton model with PanEngine makes it possible to simulate the microstructures and microsegrgation not only for simple binary alloys, but also for practical multicomponent alloys with complex equilibria. 

                   

                    

                            Simulated equiaxed dendrite morphology and solute fields of (a) Cu 

                                and (b) Mg for an Al-15wt%Cu-1wt%Mg alloy solidified at 10 k/s.

                        

                           

                  

                            Dendrite morphology of an Al-3.9wt%Cu-0.9wt%Mg alloy    

                              solidified with 0.78 k/s: (a) experiment and (b) simulation

Note: Database used in this work is PanAluminum 

Reference: Zhu M. F., Hong C. P., Stefanescu D. M. and Chang Y. A., Proceedings of Simulation of Aluminum Shape Casting Processing: From Alloy Design to Mechanical Properties, Symposium held during the TMS Annual Meeting, San Antonio, TX, United States, Mar. 12-16, 2006 (2006), 13-22.

 

PanEngine Coupling With Micro-Model

 

This numerical micromodel is a modified Scheil model incorporating back diffusion, undercooling and dendrite arm coarsening. Three geometric shapes, plate, cylinder and sphere, were used to describe the growing secondary or tertiary arms.

                    

                 

                                  319 Aluminum Alloy: Simulated fraction of Al2Cu phase vs.   

                                          distance from a wedge-shape casting chill

                     

                     

                           7075 Aluminum Alloy: Simulated concentration profiles of Cu and Mg

Note: Database used in this work is PanAluminum 

Reference: Chang Y. A., Yan X.-Y., Xie F. -Y. and Chen S.-L., Solidification of Aluminum Alloys, Proceedings of Symposium held during the TMS Annual Meeting, Charlotte, NC, United States, Mar. 14-18, 2004 (2004).

 

Application II: Precipitation

 

PanEngine Coupling with PanStar Kinetic Module

PanStar, a Kinetic simulation module, is developed by CompuTherm for simulating the precipitation kinetics of Ni-based superalloys. The coupling of PanStar with PanEngine makes it possible to predict the amount, size, and size distribution of precipitate phase during aging.

Isothermal Annealing

                    

                        SEM micrograph showing δ-phase plates, γ" discs and spheroids in 

                              IN 718 treated isothermally at 850oC/24h.  

S. Azadian, L.Y. Wei, F. Niklasson and R. Warren, in E.A. Loria Ed., Superalloys 718, 625, 706 and Various Derivatives, TMS 2001, p. 617-626.

 

                         

                                     

Multi-Stage Annealing

                    

                 

                                

 

The coupling of PanStar with PanEngine makes it possible to predict T-T-T diagrams of isothermal annealing of Ni-based superalloys.

Simulation of T-T-T curves

                      

                                               Calculated T-T-T curves of IN 718

                    

                        Experimental Time -Temperature -Transformation Curve for Alloy 718. 

A. Oradei-Basile and J.F. Loria Ed., Superalloy 718, 625 and Various Derivatives, TMS, 1991, p. 325-335.