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CALPHAD-Based Thermodynamic Description of the Binary Phase Diagram Ge-Ti

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Abstract

The Ge-Ti binary phase diagram was remodeled using the CALPHAD approach implementing newly available experimental data and data from ab-initio calculations. The modelled phase diagram is based on a recently published experimental phase diagram, enthalpy of formation calculated by ab-initio methods, experimentally measured heat capacity of phases Ge3Ti5 and Ge5Ti6, enthalpy of formation of Ge3Ti5 at 298 K and enthalpy of mixing of liquid at 2000 K. A very good agreement with the experimental results was reached for Ge-Ti phase diagram and for the calculated thermodynamic properties, namely the enthalpy of mixing of the liquid phase at 2000 K and heat capacity of phases Ge3Ti5 and Ge5Ti6.

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  1. Academy of Science, Institute of Physics of Materials, Žižkova 22, Brno, Czech Republic

    Ondřej Zobač & Aleš Kroupa

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  1. Ondřej Zobač
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  2. Aleš Kroupa
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Correspondence to Ondřej Zobač.

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Zobač, O., Kroupa, A. CALPHAD-Based Thermodynamic Description of the Binary Phase Diagram Ge-Ti. J. Phase Equilib. Diffus. 44, 115–126 (2023). https://doi.org/10.1007/s11669-023-01028-0

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  • DOI: https://doi.org/10.1007/s11669-023-01028-0

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