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Thermodynamics 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.

Properties that Can Be Calculated
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Overview
Thermo-Calc
Databases
Add-On Modules
SDKs

About Thermo-Calc

One Software with Many Built-In Calculators

Our flagship product, Thermo-Calc, is a powerful software package for a wide range of thermodynamic and property calculations. The software platform includes several built-in calculators that allow you to perform a wide range of thermodynamic and property calculations, including phase diagrams, property diagrams, Scheil solidification simulations, and more.

Expand the Functionality

The platform can also be expanded with several Add-on Modules and over 40 available databases. Users can also link Thermo-Calc calculations to other software or your own code with one of our three software development kits (SDKs).

All of the Add-on Modules and over 40 available databases are integrated into one platform, making installation easy and providing a unified working environment.

Thermo-Calc is essential in predicting starting conditions (melting temperature, heat treatment temperature, etc) for our research and design projects.
Associate Professor of Practice, United States
Customer Satisfaction Survey 2024
It's an incredibly useful tool for predicting thermochemical interactions between materials.
PhD Student in Materials and Processes, France
Customer Satisfaction Survey 2024
It is user friendly, especially with the introduction of the graphics interface. I don't need to have programming skills.
Materials Engineer, Sweden
Customer Satisfaction Survey 2024
I learnt it just recently and it is quite fun. The interface and overall experience have been great.
Aeronautics research, Intern, Materials and Metallurgy Branch, United States
Customer Satisfaction Survey 2024
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Thermodynamics Software

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
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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
  • Elastic properties: Elastic moduli (bulk modulus, shear modulus, and Young’s modulus) for BCC, HCP and FCC phases and elastic constants (C11, C12, C13, C33, and C44) for BCC, HCP, and FCC phases
  • 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 available in the Steel Model Library: Martensite start temperature, martensite fractions, critical transformation temperatures, and kinetics of pearlite, bainite, and ferrite formation
  • Properties available in the Nickel Model Library: Antiphase boundary energy, coarsening, equilibrium with freeze-in temperature, and solvus for ordered phase
  • Properties available in the Titanium Model Library: Hardness and/or strength of Ti-base alloys and martensite start and T-Zero temperatures for Ti-base alloys
Properties We Can Calculate
Webinar: What if the Materials Data You Need Doesn't Exist?
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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)
Applications of Thermo-Calc
Digital Stream

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.

Metal sheet forming machine

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:

Thermodynamic equation blackboard

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.

See Available Databases
Learn about CALPHAD
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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 Property Model Libraries for Steels and Nickels.

Add-on Modules
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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).

Software Development Kits

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.

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Learn More about Thermo-Calc

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Publication

Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys

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Videos

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

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References

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

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Flyer

An overview of Thermo-Calc.

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Solutions

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Showcase

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Is Thermo-Calc Right for You?

Talk to one of our experts to learn whether our tools fit your needs.

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