{"title":"Equation of State and Phase Diagram for Zirconium","authors":"Nikolay V. Kozyrev","doi":"10.1007/s10765-025-03583-9","DOIUrl":null,"url":null,"abstract":"<div><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 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.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 8","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Thermophysics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10765-025-03583-9","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
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.
期刊介绍：
International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.
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