CALPHAD Assessment of the carbon-zirconium system

Theresa Davey1, S.G. Fries2, M.W. Finnis1,3

1. Department of Materials, Imperial College London, UK
2. ICAMS, Ruhr-Universität Bochum, Germany
3. Thomas Young Centre, Department of Physics, Imperial College London, UK

MS&T 2017, Salt Lake City, UT, USA

Contributed oral presentation

Zirconium carbide is an ultra-high temperature ceramic (UHTC), which is a candidate material for use in Generation IV fuel reactors due to its high hardness and melting point exceeding 3500K. For these applications, precise knowledge of the phase stability of the material as a function of composition, temperature, and pressure is required. Since the publication of the widely used carbon- zirconium phase diagram [1], there have been many experimental studies of the phase boundaries, as well as many theoretical calculations of thermodynamic properties. Using the CALPHAD approach, an updated thermodynamic description for the carbon zirconium system is produced, using all available experimental and theoretical insights. The phase diagram and thermodynamic properties are compared with experimental data and shown to be consistent.

  1. Fernandez Guillermet, A. (1995). Analysis of thermochemical properties and phase stability in the zirconium-carbon system. Journal of Alloys and Compounds, 217, 69–89.