Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ HAL UPECarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
HAL UPEC
Article . 2025
Data sources: HAL UPEC
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
HAL-CEA
Article . 2025
Data sources: HAL-CEA
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Calphad
Article . 2025 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
https://doi.org/10.2139/ssrn.4...
Article . 2024 . Peer-reviewed
Data sources: Crossref
versions View all 4 versions
addClaim

Thermodynamic Assessment of the Fe–O–Zr, Cr–O–Zr and O–Sn–Zr Ternary Systems

Authors: Vu, Tuan-Minh; Gokelaere, Paul; Toffolon-Masclet, Caroline; Joubert, Jean-Marc;

Thermodynamic Assessment of the Fe–O–Zr, Cr–O–Zr and O–Sn–Zr Ternary Systems

Abstract

The Fe-O-Zr, Cr-O-Zr, and O-Sn-Zr ternary systems have been modeled using the CALPHAD (CALculation of PHAse Diagrams) method to develop comprehensive thermodynamic descriptions essential for applications in nuclear materials and corrosion science. Experimental data from the literature and Density Functional Theory (DFT) calculations were used within this work to determine accurate thermodynamic parameters for the phases involved. The binary O-Zr system, common to all three ternary systems, was reassessed using ionic models to accurately describe the non-stoichiometry of zirconium oxide phases, which is crucial for predicting phase equilibria and material properties. To validate and refine our thermodynamic models, we conducted experimental studies specifically on the Cr-O-Zr system, and the resulting data were incorporated into our assessment to enhance its reliability and accuracy.

Country
France
Keywords

Calphad, Cr-O-Zr, Sn-O-Zr, Fe-O-Zr, [CHIM] Chemical Sciences, Assessment, DFT

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    2
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Top 10%
Average
Average
Green