Pandat™ microstructure simulation
PanPhaseField Plugins
CALPHAD-powered microstructure simulation
PanPhaseField is Pandat's framework for coupling CALPHAD with microstructure simulation models. Through PanDataNet, it connects Pandat calculation engines and thermodynamic and kinetic databases with cellular automaton (CA), phase-field, and other microstructure models, providing high-performance access to thermodynamic and kinetic states across large numbers of spatial cells and time steps.
The current PanPhaseField plugins focus on solidification and grain-structure evolution, including CA-based grain growth and multiphase-field modeling. The framework is extensible and can also support precipitation and other microstructure simulation models.
Choose a model
Three plugins for different solidification problems
Start from the physical scale and process you want to study. Grain-scale CA models are suited to process-level grain-structure prediction, while OpenPhase resolves detailed multiphase microstructure evolution at the dendrite scale.
OpenPhase Solidification
Dendrites and multiphase solidification microstructures.
- Multicomponent dendrite growth
- Eutectic and peritectic reactions
- Secondary-phase nucleation
- CALPHAD thermodynamics and mobility
- Checkpoint / restart + VTK output
CA-PanGrainStructure
Fast multicomponent 3-D grain-structure simulation.
- Grain size, morphology and orientation
- CET prediction
- Solute redistribution and optional back diffusion
- Measured T(z,t) thermal input
- OpenMP + VTK / ParaView output
PPF CA Solidification
Grain structure in casting, directional solidification and welding.
- 3-D grain growth
- Surface, bulk and epitaxial nucleation
- Columnar-to-equiaxed transition
- Rosenthal heat-source option for welding
- FCC and BCC alloys
Plugin: OP_Solidification_Multicomponent
OpenPhase Solidification
CALPHAD-coupled multi-phase-field simulation for detailed solidification microstructures.
OpenPhase Solidification couples the OpenPhase multi-phase-field solver with Pandat thermodynamics and mobility data. OpenPhase evolves interfaces and grains, while Pandat supplies the local equilibrium, partitioning, chemical driving forces and kinetic information required by the simulation.
The same CALPHAD-coupled workflow extends naturally from binary alloys to complex multicomponent systems. The plugin can treat several solid phases growing from one melt, including peritectic and eutectic reactions and secondary-phase formation from enriched interdendritic liquid.
- Multi-phase-field formulation
- Multicomponent alloy systems
- Dendrite morphology
- Eutectic & peritectic reactions
- Secondary-phase nucleation
- Checkpoint / restart + VTK output
Plugin: CA_PanGrainStructure
CA-PanGrainStructure
Fast 3-D CALPHAD-coupled grain-structure simulation for multicomponent alloys.
CA-PanGrainStructure predicts grain size, morphology, crystallographic orientation and CET during solidification. Liquidus, undercooling and solute partitioning are evaluated from the alloy database, while solute redistribution in the liquid and optional back diffusion in the solid can be followed as grains grow.
A linear thermal gradient with cooling rate or a measured T(z,t) table can be prescribed, supporting casting, directional-solidification and additive-manufacturing studies as well as rapid composition and process screening.
- Multicomponent CALPHAD coupling
- Grain size, morphology & orientation
- CET and chill-zone modes
- Stochastic nucleation
- VTK / ParaView output
Plugin: PPF_SolidificationCA
PPF CA Solidification
Predict 3-D grain structures in casting, directional solidification and welding.
PPF CA Solidification is a 3-D cellular-automaton model in which grain-growth kinetics are obtained from the thermodynamic database of the alloy. Grains grow with user-defined or random crystallographic orientations until impingement.
Surface, bulk and epitaxial nucleation can be treated independently, making the model suitable for studying columnar growth, equiaxed nucleation and CET. Thermal conditions can be defined by a linear temperature field or a Rosenthal moving heat source for welding.
- 3-D cellular automaton
- Surface, bulk & epitaxial nucleation
- Columnar-to-equiaxed transition
- Casting & directional solidification
- Welding with Rosenthal field
Applications
From processing conditions to microstructure
Casting
Grain size, morphology, chill-zone formation, CET and segregation effects.
Welding
Fusion-zone grain structure, epitaxial growth and heat-source effects.
Additive Manufacturing
Columnar/equiaxed competition and sensitivity to thermal conditions.
Advanced Solidification
Dendrites, eutectic/peritectic reactions and secondary-phase formation.
PanPhaseField SDK
Build your own microstructure simulator
PanPhaseField is also an extensible development framework. Researchers and software developers can create their own application plugins while using Pandat for CALPHAD thermodynamics, kinetics and visualization.