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CompuTherm’s Products

PandatTM is a powerful software package with a robust thermodynamic calculation engine, a friendly graphical user interface, and a flexible post calculation table editing function which allows users to plot variety diagrams. It is designed as an integrated workspace with several calculation modules. This design allows users to calculate a variety of diagrams and properties under one workspace with the same user interface. This design also allows for easy extension to include more calculation modules. Current modules include:

PanPhaseDiagram: perform calculations of phase equilibrium and thermodynamic properties for technical important multi-component alloy systems.  Calculated properties include stable and metastable phase diagrams, liquidus projection, stability diagrams, phase fraction and composition, phase transformation temperature, solidification path and heat evolution with the Scheil-Gulliver model, activity, driving force and much more. New features include 3D diagrams and property contour diagrams.

PanPrecipitation: perform simulation of diffusion-controlled precipitation kinetics during heat treatment processes. Langer-Schwartz theory and Kampmann-Wagner numerical approach are used to treat concurrent nucleation, growth/dissolution, and coarsening under isothermal and non-isothermal conditions.  Simulated properties include temporal evolution of average particle size and number density, the temporal evolution of particle size distribution, and temporal evolution of volume fraction and composition of precipitates. Co-precipitation of two or more precipitates can be simulated.

PanDiffusion: perform simulation of kinetic processes dominated by elemental diffusion. PanDiffusion provides a rich variety of applications including particle dissolution, carburization, decarburization, homogenization, phase transformation, diffusion couple, and so on.

PanSolidification: perform simulation of solidification behavior under a variety of conditions with different cooling rates. It is an extension of the Scheil model taking into consideration of back diffusion in the solid, secondary dendrite arm coarsening, and the formation of eutectic structure.

PanEngine API: Dynamic Linked Library (DLL) provides programming interface for users to develop custom applications such as solidification, heat-treatment, casting, welding, corrosion, phase-field simulation and more.

Databases: (see Database Document) Thermodynamic databases, mobility databases, and molar volume databases have been developed for numerous alloy systems including Al-, Co-, Cu-, Fe-, Mg-, Mo-, Nb-, Ni-, Ti-, Zr-based alloys, as well as for noble alloys, solder alloys, and high entropy alloys. These databases provide model and model parameters for Pandat software to simulate materials properties.

CompuTherm’s Research

CompuTherm has been working on government research projects for the past 20+ years. CompuTherm has received 17 SBIR (Small Business Innovation Research) and STTR (Small Business Technology Transfer) awards from DoD (Department of Defense, Air Force Research Laboratory) and DoE (Department of Energy). With these awards funding, CompuTherm has developed innovative simulation tools for the study of materials properties. In addition, CompuTherm also collaborates with aerospace industrial companies and automobile industrial companies working on a challenging program for practical applications. CompuTherm also collaborates with universities and research institutes working on research programs.