Thermodynamic assessment of the Fe-Te system. Part II: Thermodynamic modeling

JOURNAL OF ALLOYS AND COMPOUNDS

卷:767

Article

Arvhult, C-M.¹  Gueneau, C.²  Gosse, S.²  Selleby, M.¹ 

[1] KTH Royal Inst Technol, Dept Mat Sci & Engn, Unit Struct, ITM, Brinellvagen 23, SE-10044 Stockholm, Sweden

[2] Univ Paris Saclay, DEN, SCCME, CEA, F-91191 Gif Sur Yvette, France

关键词: Nuclear reactor materials;    Interstitial alloys;    Thermodynamic modeling;    Thermochemistry;    Phase diagrams;    Phase transitions;   

DOI  :  10.1016/j.jallcom.2018.07.051

来源: Elsevier

【 摘 要 】

A thermodynamic description of the Fe-Te system modeled via the Calphad method is proposed, based on data published in a preceding publication Part I: Experimental study, and that available in literature. End-member formation energies for the phases beta, beta', delta, delta' and epsilon, as well as lattice stabilities of FCC and BCC tellurium, have been evaluated via DFT and used in the numerical optimization. The final Gibbs energy models fit thermodynamic and phase diagram data well, and inconsistencies are discussed. The thermodynamic description is then used to evaluate Gibbs energy of formation for selected Fe-Te compounds of interest for the modeling of internal corrosion of stainless steel fuel pin cladding during operation of Liquid Metal-cooled Fast Reactors (LMFR). (C) 2018 Elsevier B.V. All rights reserved.

【 授权许可】

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