Computational Thermodynamics

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Generate Accurate Computational Materials Data

With Thermo-Calc, users have access to a rich dataset and the tools necessary to extrapolate into the specific composition and processing or operating window of interest on-demand. Users can generate data such as thermophysical properties, segregation behavior, nucleation and precipitation behavior, and use this data to augment their understanding of a material. This is far superior to the traditional methods many rely on of using nominal or average compositions to make assumptions about a class of material or scouring the web and searching for papers that contain specific information for a specific material composition or chemistry only to find, in most cases, that it doesn’t exist. Using computational materials science, Thermo-Calc allows you to generate accurate, reliable materials data when you need it.

Accelerate Time to Market

The data generated from Thermo-Calc can greatly reduce the number of experiments required to bring a new or improved product to market. For example, Thermo-Calc can assist in pre-screening test conditions, enabling you to better target your experiments to get the data you need. By narrowing your parameters and reducing the number of experiments, you can greatly improve time to market.

If you work in a segment of manufacturing where the demand on quality and certification is especially high, carefully constructed test and approval routines are necessary. Thermo-Calc can give you starting points and indications on what is, or is not, worth pursuing. This can greatly improve time to market.

Read an example in which the Steel Model Library is used to find the optimal composition of a steel to achieve high hardenability or an example that shows you how Thermo-Calc can be used to accelerate alloy design for additive manufacturing.

Reduce Costs with Computational Materials Science

Decreasing the number of experiments dramatically reduces the cost of designing and optimizing materials. But cost savings go far beyond experiments. Thermo-Calc can also be used to optimize processing conditions, saving you money on wasted materials, unsuccessful runs, and more.

Read an example in which the Property Model Calculator is used to find the optimal composition for a titanium-based alloy to be used for additive manufacturing applications, or read an example in which the Process Metallurgy Module is used to predict and optimize the amount of raw materials needed in the Basic Oxygen Furnace (BOF) processing.

Improve Materials and Processing Conditions

Thermo-Calc is used extensively in manufacturing to understand how changes in processing conditions affect the final results of your product. By understanding the alloys and how their phase make-up depends on temperature, you can improve the properties of your material or understand why things go wrong in production. Slight adjustments in alloys or process parameters can greatly improve the quality of your final product.

Read an example showing how Thermo-Calc and the Diffusion Module (DICTRA) were used to investigate microsegregation during solidification of a continuously cast steel.

Analyze Breaks in Production Chains

Thermo-Calc is also helpful when analyzing breaks in production chains. Thermodynamic calculations help to identify why, where, and when the break occurs. An example of this is a manufacturer who develops gearboxes for the car industry. Gearboxes use different kinds of steel, all with specific requirements. A manufacturer must know how the cogwheels will react and sustain. When a manufacturer orders steel from a supplier, it is often the case that they will not get the exact alloy, since steel seldom comes in the exact composition. With Thermo-Calc calculations, it is possible to identify the small range of precise chemical components needed to get the steel for cogwheels perfect for the required quality.

The same applies for manufacturers using or developing nickel superalloys, aluminum alloys, and other light metals such as titanium alloys and copper alloys.

Improve Environmental and Ethical Conditions

Metal production accounts for over 40% of industrial greenhouse gas emissions, 10% of energy consumption, and results in billions of tons of waste every year¹. Additionally, many alloys include elements that are crucial for product performance but have detrimental effects on the health and well-being of those who interact with the materials. The materials community must act to increase sustainability in design, production, and application, and work to better the health and well-being off all involved in the process.

Thermo-Calc Software values sustainability as a core principle and supports companies in their efforts to reduce their climate footprint and achieve their sustainability targets. Our products contribute to sustainability across multiple stages of the materials lifecycle and we are continuously working to develop new products to further support users in this effort.

Visit our Sustainability webpage where we have gathered many examples, use cases, and references to demonstrate how our tools can help you reach your sustainability goals.

Applications for Sustainability

Rooted in Academia, Trusted by the Scientific Community

Thermo-Calc Software has its roots at KTH Royal Institute of Technology and has grown from an academic research tool into a trusted platform used by industry and universities worldwide. Built on a strong scientific foundation and developed in close collaboration with researchers, Thermo-Calc offers reliable, user-friendly tools for thermodynamics, diffusion, additive manufacturing, ICME, and more—making it a solid choice for accurate, efficient materials modeling.

In choosing Thermo-Calc, you are not just gaining access to the scientific experience of the company, but you are joining a worldwide user community of top material researchers. Our databases are continually developed in the true CALPHAD spirit in close collaboration with universities and industrial partners. Together with new models and functionality, the theories and results are frequently published in various journals, hence being validated by the greater scientific community to ensure our high standards of quality.

Thermo-Calc has been cited over 50,000 times in peer-reviewed publications, not by us, but by scientists and researchers using our software. With Thermo-Calc, you can rest assured that you’re getting the most accurate predictive materials data available.

Read about the CALPHAD Method          Publications Citing Thermo-Calc          Our History in Academia

Comprehensive Software Package

With the expandable software platform and over 40 databases, Thermo-Calc offers the most extensive suite of tools for predicting and understanding the properties of materials available on the market, all in one convenient platform. Other programs on the market offer some of the calculation types we provide, or a limited selection of databases, but none combine the range of calculation types with the depth of databases we offer, all in one convenient platform.

Our Products

Excellent Technical and Customer Support

Nearly two-thirds of our staff have PhDs in a relevant field, so we understand your complex needs and the challenges you face. We employ a highly-skilled, dedicated support team to ensure that users receive the advanced technical support required for this type of software.

In annual surveys, our users consistently report being highly satisfied with both the technical and non-technical customer support they receive.

Continuous Improvement

The Thermo-Calc platform and Add-on Modules are continually developed, with close links to on-going fundamental academic, and applied industrial research, to meet the growing needs of our academic and industrial users. Our software is on a two-times per year release schedule, so users can expect continuous improvements and new features and functionality.

Our databases are also continuously under development by our team of highly-specialized database developers, often in close collaboration with universities and industry partners, ensuring that our predictions are derived from the most recent experimental and theoretical data available.

Learn about an international collaboration to advance an existing CALPHAD database for next generation TiAl alloys