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Thermodynamic assessment of the Ni-Te system
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
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, Skolan för industriell teknik och management (ITM), Materialvetenskap.ORCID-id: 0000-0001-5031-919X
2019 (engelsk)Inngår i: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 54, nr 16, s. 11304-11319Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
SPRINGER , 2019. Vol. 54, nr 16, s. 11304-11319
HSV kategori
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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
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QC 20190814

Tilgjengelig fra: 2019-08-14 Laget: 2019-08-14 Sist oppdatert: 2019-08-14bibliografisk kontrollert

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