Thermodynamics and Properties Software

Thermo-Calc

Our flagship thermodynamics software, Thermo-Calc, is used by materials scientists and engineers to generate material properties data, gain insights about materials, understand a specific observation, and answer direct questions related to a specific material and/or its processing. Used in conjunction with suitable databases, Thermo-Calc can be used for a wide variety of applications.

Calculate the State for a Given Thermodynamic System

Thermo-Calc allows you to calculate the state for a given thermodynamic system to obtain insights such as:

  • Amounts and compositions of phases
  • Transformation temperatures
  • Solubility limits
  • Driving forces for phase formation
  • Activities and chemical potentials
  • Phase diagrams, Potential diagrams, and Pourbaix diagrams

Predict a Wide Range of Materials Property Data

Below are examples of properties that can be calculated with our thermodynamics and properties software, typically as a function of composition, temperature, and sometimes also pressure:

  • Thermophysical properties: Specific heat, enthalpy, heat capacity, heat of formation, density, coefficient of thermal expansion, viscosity (of liquid), surface tension (of liquid), interfacial energy, thermal conductivity, and electric resistivity
  • Kinetic properties: Diffusion coefficients, atomic mobility
  • Mechanical properties: Yield strength, hardness
  • Properties related to equilibrium and non-equilibrium solidification: Liquidus, solidus, incipient melt temperatures, freezing range, fraction solid curves, solidification path, fraction eutectic, microsegregation, partition coefficients, latent heat, shrinkage, susceptibility to hot tearing, and more
  • Properties specific to steel (requires Steel Model Library): Martensite start temperature, martensite fractions, and kinetics of pearlite formation

Gain Insight into Materials Processing

Simulations can be used to gain insight into how to optimally process an alloy. There are numerous applications of our thermodynamics and properties software related to this topic, including but not limited to:

  • Optimizing slag systems for both ferrous and non-ferrous applications
  • Calculating furnace gas chemistries
  • Predicting microsegregation following processes involving solidification
  • Identifying optimal temperatures for solutionizing, homogenization, annealing, and more
  • Predicting precipitate phases to form during heat-treatment
  • Predicting the time needed to homogenize segregations (requires an Add-on Module)
  • Simulating the growth/dissolution time of precipitates (requires an Add-on Module)

Easy Export of Data

Results in Thermo-Calc are presented in the form of tables and calculated diagrams (plots). Users can easily export both types of results in a variety of common formats. Plots can be saved with high resolution in common file formats such as JPG, SVG, and PNG. The tables can be exported as TXT, HTML, and XLS formats.

One Platform with Several Built-In Calculators

Thermo-Calc includes several built-in calculators that come standard with all licenses and allow for a broad range of calculations of thermodynamic significance, including:

Calculations Made on Scientific Basis

A thermodynamic and properties database is required to make calculations using Thermo-Calc. We offer an extensive selection of high-quality thermodynamic and properties databases in a broad range of materials. The databases are produced by experts through critical assessment and systematic evaluation of experimental and theoretical data, following the well-established CALPHAD methodology.

Expand the Functionality of Thermo-Calc

Thermo-Calc was designed to be flexible, so you can expand the platform with Add-on Modules in your areas of specialization. Add-ons include two kinetic modules, a Process Metallurgy Module, and a Property Model Library for Steels.

Link Thermo-Calc to Other Programs

Thermo-Calc and the Add-on Modules can be linked to other software programs or your own code with one of the three available Software Development Kits (SDKs).

Availability

In order to run Thermo-Calc, it is necessary to have a license for the software and at least one thermodynamic and properties database. You can also add optional Add-on Modules and SDKs to your license to suit your needs. If you are interested in purchasing a license for Thermo-Calc and any of the databases, Add-on Modules, or SDKs, please contact us to discuss which license is right for you.

Learn More about Thermo-Calc

A collection of videos demonstrating the capabilities of Thermo-Calc.

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References regarding the development of Thermo-Calc, thermodynamic models implemented in the software, some specific applications utilizing it, and more.

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An overview of Thermo-Calc.

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