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<p>Equations of state for solid (α-, β-, and ω-phases) and liquid zirconium (Zr) have been established by simultaneously co-optimizing the thermodynamic properties, compressibility, thermal expansion, and bulk compression moduli using the phase diagram data. The totality of experimental data was optimized using the temperature-dependent Tait equation over a pressure range up to 1300 kbar and a temperature range from 20&#xa0;K to 3800&#xa0;K. The use of the existing phase diagram data in the optimization process made it possible to determine the missing parameters of the equations of state for all Zr phases and refine the position of the phase lines. The calculated triple point of α–ω–β is located at 975.2&#xa0;K and 67.09 kbar, which is in good agreement with the experimental data. The derived equations of state (EoSs) reproduce the entire set of the existing experimental data within the measurement error.</p>

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Equation of State and Phase Diagram for Zirconium

  • 期刊论文

  • 发表日期：

    2025年6月10日

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  • Nikolay V. Kozyrev

摘要

Equations of state for solid (α-, β-, and ω-phases) and liquid zirconium (Zr) have been established by simultaneously co-optimizing the thermodynamic properties, compressibility, thermal expansion, and bulk compression moduli using the phase diagram data. The totality of experimental data was optimized using the temperature-dependent Tait equation over a pressure range up to 1300 kbar and a temperature range from 20 K to 3800 K. The use of the existing phase diagram data in the optimization process made it possible to determine the missing parameters of the equations of state for all Zr phases and refine the position of the phase lines. The calculated triple point of α–ω–β is located at 975.2 K and 67.09 kbar, which is in good agreement with the experimental data. The derived equations of state (EoSs) reproduce the entire set of the existing experimental data within the measurement error.