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Thermodynamic evaluation of the phase equilibria and glass-forming ability of the Ti−Be system

  • Basic and Applied Research: Section I
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Abstract

The glass-forming ability of Ti−Be alloys is of great interest. Experimental and theoretical evaluations of the glass-forming ability of this binary alloy show that the formation of a metastable TiBe phase with a CsCl-type B2 structure controls the glass-forming ability in this system. However, there is no information on the thermochemical properties of metastable TiBe for the quantitative evaluation of the glass-forming ability using Davies-Uhlmann kinetic formulations. We have carried out a thermodynamic analysis using experimental phase diagram data and the energy of formation of the stoichiometric compounds from ab initio calculations. Furthermore, the Gibbs energy of formation for the body-centered cubic (bcc) phase was evaluated over the entire composition range by applying the cluster expansion method (CEM) to the total energy of some bcc-based ordered structures obtained from ab initio calculations. For the bcc phase, the two-sublattice formalism, (Ti, Be)0.5(Ti,Be)0.5, was adopted to describe the A2/B2 transformation. A good agreement between the calculated values and experimental phase equilibria was obtained. Evaluation of the glass-forming ability was also attempted utilizing the thermodynamic quantities obtained from the phase diagram assessment. The calculated glass-forming ability agrees well with the experimental results.

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Authors and Affiliations

  1. Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency, Sensui-cho 1-1, Tobata-ku, 804-8550, Kitakyushu, Japan

    Tatsuya Tokunaga, Hiroshi Ohtani & Mitsuhiro Hasebe

  2. Department of Materials Science and Engineering, Kyushu Institute of Technology, Sensui-cho 1-1, Tobata-ku, 804-8550, Kitakyushu, Japan

    Hiroshi Ohtani & Mitsuhiro Hasebe

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  1. Tatsuya Tokunaga
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  2. Hiroshi Ohtani
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  3. Mitsuhiro Hasebe
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Tokunaga, T., Ohtani, H. & Hasebe, M. Thermodynamic evaluation of the phase equilibria and glass-forming ability of the Ti−Be system. JPED 27, 83–91 (2006). https://doi.org/10.1361/105497106X92844

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  • DOI: https://doi.org/10.1361/105497106X92844

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