Research Institute of Computational Thermodynamics, Inc.

Computational Thermodynamics: A Powerful Tool for Material Development

Computational thermodynamics is a powerful technique for quantitatively analyzing the chemical and physical properties of complex multi-component and multi-phase materials based on thermodynamic principles. This method, which has evolved as the CALPHAD (CALculation of PHAse Diagrams) method, offers high practicality and has become an indispensable tool for materials development, particularly in the field of metallic materials. However, there are still many material systems lacking thermodynamic data, especially for fine ceramics and various functional materials. Our company is actively developing databases for a wide range of materials, from metals to fine ceramics.

As the call for Material DX grows louder in the materials development field alongside the advancement of digital technologies, computational thermodynamics plays a crucial role in providing reliable and practical data by verifying, adjusting, and ensuring the consistency of thermodynamic datasets.

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CaTCalc: A Comprehensive Thermodynamic Analysis Software for Material Development

CaTCalc is a thermodynamic software developed at the National Institute of Advanced Industrial Science and Technology (AIST). It is capable of performing a variety of calculations, including complex thermodynamic equilibrium calculations for multiphase and multicomponent systems, chemical reaction calculations, phase diagram calculations, and solidification simulations. In addition, robust and stable calculations are possible not only for metals, but also for ceramics, compounds, gases, and aqueous solution systems. Refer to the Software page for details.

In addition to the pure substance database, we are also developing databases for metallic and ceramic systems as dedicated databases. Refer to the Databases page for details.

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