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Thermodynamic Modeling of B-Ta and B-C-Ta Systems

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Abstract

A thermodynamic assessment of the B-Ta system is performed using the CALPHAD method incorporating the latest experimental data and results from first-principles calculations of the formation enthalpies of TaB2, Ta3B4, TaB, Ta3B2, and Ta2B. The sublattice model of (Ta, B)0.333(Ta, B)0.667 is used to describe the homogeneity range of TaB2, while the other four intermetallic compounds are treated as stoichiometric compounds. As a results, noticeable improvement were made over previous thermodynamic description of the B-Ta system. The thermodynamic parameters obtained in this study can effectively reproduce the most recently published experimental data. The thermodynamic assessment of the ternary phase diagram of B-C-Ta system could be carried out by combining the thermodynamic parameters of the C-Ta and B-C systems from the literature with the re-assessed B-Ta system. Reliable experimental data are satisfactorily accounted for the present thermodynamic description.

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Acknowledgments

This work was supported by national Natural Science Foundation of China (No. 51471141), Scientific Reasearch Fund of Hunan Provincial Science and Technology Department (No. 2016JC2005). The research was financially supported by the 2015 Opening subject of State Key Laboratory of Powder Metallurgy.

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Authors and Affiliations

  1. School of Materials Science and Engineering, **angtan University, **angtan, 411105, Hunan, People’s Republic of China

    Xuemei OuYang, Fucheng Yin, **gxian Hu, Ye Liu & Zhaohui Long

  2. Key Laboratory of Materials Design and Preparation Technology of Hunan Province, **angtan University, **angtan, 411105, Hunan, People’s Republic of China

    Xuemei OuYang, Fucheng Yin, **gxian Hu, Ye Liu & Zhaohui Long

  3. State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083, Hunan, People’s Republic of China

    Ye Liu

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OuYang, X., Yin, F., Hu, J. et al. Thermodynamic Modeling of B-Ta and B-C-Ta Systems. J. Phase Equilib. Diffus. 38, 874–886 (2017). https://doi.org/10.1007/s11669-017-0603-2

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