ThermoCalc

ThermoCalc is an essential tool for materials engineers simplifying the rigorous calcuations needed to produce phase diagrams for multicomponent systems, complex ternary systems, or even binary systems outside of the ideal, or regular solution regimes. The power of Thermocalc lies in its growing database of various solutions, and phases. Although this software has been developed for over 25 years, it has only recently been recognized as a fundamental tool for materials science researchers with its databases covering a wide range of complex systems.

Applications

With a basic understanding of thermodynamics the user can produce binary, ternary, and pseudo-binary/ternary phase diagrams, as well as quantify various thermodynamic properties such as heat capacities, partition coefficients, and latent heats at a specific set of conditions. Phase equilibria, and phase fraction data can also be obtained for a certain system, at specific conditions. ThermoCalc also contains a Scheil module (complete mixing in the liquid, no diffusion in the solid) to analyze phase precipitation during solidification. This is especially useful when trying to predict the microstructure of an alloy after welding.

Equilibrium volume fraction of various phases against temperature

Cr-Carbide ternary diagram

Scheil solidication of Cr-Carbide Overlay

Pseudo-binary phase diagram of a Cr-Carbide Overlay looking at variations in carbon content.

Students

Nairn Barnes, M.Sc. student

Ata Kamyabi, PhD candidate

Matthew Dewar, M.Sc. student

  • Project Goal: Elimitate, or minimize the embrittling silicide G-phase by varying the composition of 20Cr32Ni1Nb Stainless Steels.

Steven Borle, M.Sc. student

  • Project Goal: Prediction of microstructure of Cr-Carbide Overlays with compositional variations.

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