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Thermodynamic assessment of the Ni-Te system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
Univ Paris Saclay, CEA, DEN, SCCME, F-91191 Gif Sur Yvette, France..
Univ Paris Saclay, CEA, DEN, SCCME, F-91191 Gif Sur Yvette, France..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0001-5031-919X
2019 (English)In: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 54, no 16, p. 11304-11319Article in journal (Refereed) Published
Abstract [en]

A thermodynamic assessment of the Ni-Te system has been performed using the Calphad method, based on experimental data available in the literature. The proposed description has been developed for use in the modeling of fission-product-induced internal corrosion of stainless steel cladding in Generation IV nuclear reactors. DFT calculations were performed to obtain 0 K properties of solid phases to assist the thermodynamic optimization. The ionic liquid two-sublattice model was used, and most solution phases were modeled using interstitial metal sub-lattices. With a strict number of parameters, the resulting description satisfactorily reproduces all thermodynamic properties and high-temperature phase transitions. The metastable miscibility gap in the Ni-rich liquid that is experimentally suggested is not present in the final description. The phase exhibits a metastable order-disorder transition between the CdI2 and NiAs types of interstitial nickel distribution. The CdI2 prototype is the stable space group at room temperature. Low-temperature ordering phase transitions have been disregarded in this description, since they are not of interest to the application of corrosion in nuclear reactors.

Place, publisher, year, edition, pages
SPRINGER , 2019. Vol. 54, no 16, p. 11304-11319
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-253999DOI: 10.1007/s10853-019-03689-0ISI: 000469467500027Scopus ID: 2-s2.0-85066047832OAI: oai:DiVA.org:kth-253999DiVA, id: diva2:1342878
Note

QC 20190814

Available from: 2019-08-14 Created: 2019-08-14 Last updated: 2019-08-14Bibliographically approved

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Arvhult, CarlSelleby, Malin

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