Heat capacity measurement of Zr2Fe and thermodynamic re-assessment of the Fe–Zr system

Critical evaluation of the Fe–Zr binary system has been performed based on the available experimental and calculated data. New experimental data on the heat capacity of Zr2Fe have been obtained using differential scanning calorimetry. Thermodynamic parameters have been optimized using the CALPHAD ap...

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Bibliographic Details
Published inCalphad Vol. 66; p. 101625
Main Authors Saenko, I., Kuprava, A., Udovsky, A., Fabrichnaya, O.
Format Journal Article
LanguageEnglish
Published Elmsford Elsevier Ltd 01.09.2019
Elsevier BV
Subjects
Binary systems
Computer simulation
Intermetallic compounds
Iron
Mathematical analysis
Optimization
Parameters
Specific heat
Zirconium
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Summary:Critical evaluation of the Fe–Zr binary system has been performed based on the available experimental and calculated data. New experimental data on the heat capacity of Zr2Fe have been obtained using differential scanning calorimetry. Thermodynamic parameters have been optimized using the CALPHAD approach. New experimental results of specific heat capacity and ab-initio calculations for the ZrFe2, Zr2Fe and Zr3Fe intermetallic compounds have been taken into account in the optimization of the thermodynamic parameters. A self-consistent thermodynamic description of the Fe–Zr system has been obtained. Using the generalized “χ2”–criterion, the results calculated using the thermodynamic descriptions derived in the present work are compared with those previously published.
ISSN:0364-5916
1873-2984
DOI:10.1016/j.calphad.2019.05.002