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Thermodynamic assessment of the Mo–Zr binary phase diagram
KTH, Superseded Departments, Materials Science and Engineering.
KTH, Superseded Departments, Materials Science and Engineering.
2003 (English)In: Calphad, ISSN 0364-5916, Vol. 27, no 3, 253-262 p.Article in journal (Refereed) Published
Abstract [en]

The Mo-Zr binary system has been optimized using the available experimental data on the phase diagram and two estimated enthalpy values, one for the formation of the Laves phase and one for the mixing of the liquid phase. During the optimizing procedure all the experimental data were optimized simultaneously. The excess Gibbs energy of the stable phases, liquid, body centred cubic (bcc), hexagonal closed packed (hcp) and Laves(-)c15, has been obtained. The solution phases: liquid, bcc and hcp, have been treated as substitutional solutions and the intermetallic phase Laves(-)c15 has been modelled using the sublattice model. A set of model parameters is given.

Place, publisher, year, edition, pages
2003. Vol. 27, no 3, 253-262 p.
Keyword [en]
zirconium-molybdenum, hafnium-molybdenum, high-temperature, laves phases, alloys, nb, enthalpies, systems, ta
National Category
Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-5593DOI: 10.1016/j.calphad.2003.09.003ISI: 000220038100002OAI: oai:DiVA.org:kth-5593DiVA: diva2:10010
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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