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Thermodynamic evaluation of the Nb-O-Zr system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
2007 (English)In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 360, no 3, 242-254 p.Article in journal (Refereed) Published
Abstract [en]

Thermodynamic properties of the ternary system Nb-O-Zr have been evaluated by means of the CALPHAD (CALculation of PHAse Diagrams) method. The pertinent experimental data are surveyed and the thermodynamic models based on the previous assessments of the binary systems Nb-O, Nb-Zr and O-Zr are delineated. The results of our computations indicate that the models describe the zirconium rich portion of the ternary phase diagram satisfactorily, however, in the niobium rich part, the calculations differ from the experimental data and should be verified by new experiments

Place, publisher, year, edition, pages
2007. Vol. 360, no 3, 242-254 p.
Keyword [en]
heat-capacity measurement, mechanical-properties, zirconium-alloys, oxygen alloys, 905 k, niobium, temperature, phase, transformation, diffraction
National Category
Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-5596DOI: 10.1016/j.jnucmat.2006.10.008ISI: 000244812800004Scopus ID: 2-s2.0-33846828575OAI: oai:DiVA.org:kth-5596DiVA: diva2:10013
Note
QC 20100901Available from: 2006-04-11 Created: 2006-04-11 Last updated: 2010-12-06Bibliographically approved
In thesis
1. Thermodynamic Database for Zirconium Alloys
Open this publication in new window or tab >>Thermodynamic Database for Zirconium Alloys
2006 (English)Doctoral thesis, comprehensive summary (Other scientific)
Abstract [en]

For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason for using these alloys is the low neutron absorption.

Zirconium alloys are exposed to a very severe environment during the nuclear fission process and there is a demand for better design of this material. To meet this requirement a thermodynamic database is useful to support material designers. In this thesis some aspects of the development of a thermodynamic database for zirconium alloys are presented. A thermodynamic database represents an important facility in applying thermodynamic equilibrium calculations for a given material providing: 1) relevant information about the thermodynamic properties of the alloys e.g. amount and composition of phases, oxygen activity, heat capacity etc, and 2) significant information for the manufacturing process e.g. heat treatment temperature.

The basic information in the database is first the unary data, i.e. pure elements; those are taken from the compilation of the Scientific Group Thermodata Europe (SGTE) and then the binary and ternary systems. All phases present in those binary and ternary systems are described by means of the Gibbs energy as a function of composition and temperature. Many of those binary systems have been taken from published or unpublished works and others have been assessed in the present work. The elements included in the databse are: C, Fe, Cr, Nb, Ni, Mo, O, Si, Sn, and Zr + H, and the assessment performed under this thesis are: Cr-Sn, Mo-Zr, Sn-Zr, Fe-Nb-Zr and Nb-O-Zr. All the calculations have been made using Thermo-Calc software and the representation of the Gibbs energy obtained by applying Calphad technique with some use of ab initio calculations.

Place, publisher, year, edition, pages
Stockholm: KTH, 2006. xii, 50 p.
Keyword
Zirconium alloys, thermodynamic equilibrium, thermodynamic properties, binary system, ternary system, Gibbs energy, Thermo-Calc, Calphad, binary system, ternary system
National Category
Other Materials Engineering
Identifiers
urn:nbn:se:kth:diva-3918 (URN)91-7178-308-3 (ISBN)
Public defence
2006-04-24, Sal F3, Lindstedtsvägen 26, Stockholm, 10:00
Opponent
Supervisors
Note
QC 20100902Available from: 2006-04-11 Created: 2006-04-11 Last updated: 2010-09-02Bibliographically approved

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