Journal of Phase Equilibria and Diffusion

, Volume 27, Issue 1, pp 83–91 | Cite as

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

  • Tatsuya Tokunaga
  • Hiroshi Ohtani
  • Mitsuhiro Hasebe
Basic and Applied Research: Section I

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.

Keywords

ab initio calculations CALPHAD entropy of fusion glass-forming ability metastable phase equilibria titanium-beryllium 

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Copyright information

© ASM International 2006

Authors and Affiliations

  • Tatsuya Tokunaga
    • 1
  • Hiroshi Ohtani
    • 1
    • 2
  • Mitsuhiro Hasebe
    • 1
    • 2
  1. 1.Core Research for Evolutional Science and Technology (CREST)Japan Science and Technology AgencyKitakyushuJapan
  2. 2.Department of Materials Science and EngineeringKyushu Institute of TechnologyKitakyushuJapan

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