2018
DOI: 10.1016/j.jallcom.2018.07.051
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Thermodynamic assessment of the Fe-Te system. Part II: Thermodynamic modeling

Abstract: 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 , , , and , 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 thermodynami… Show more

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Cited by 13 publications
(17 citation statements)
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“…In addition, Data of 61 at.% Te from Terzieff. [8] Binary data from Arvhult et al [19,20] [19,20] DTA studies present the liquidus and solidus temperatures for isoplethal sections of 44-80 at.% Te, complementing the work by Terzieff, [8] which only considered 61 at.% Te. Metallographic studies show that the b2 phase forms Widmanstätten structures, precipitated inside the ternary s phase regions, which supports theories that the s phase extends at higher temperature to reach above the b2 phase towards the Fe-Te binary high-temperature rhombohedral phase, [2] also known as b 0 .…”
Section: Discussionmentioning
confidence: 94%
“…In addition, Data of 61 at.% Te from Terzieff. [8] Binary data from Arvhult et al [19,20] [19,20] DTA studies present the liquidus and solidus temperatures for isoplethal sections of 44-80 at.% Te, complementing the work by Terzieff, [8] which only considered 61 at.% Te. Metallographic studies show that the b2 phase forms Widmanstätten structures, precipitated inside the ternary s phase regions, which supports theories that the s phase extends at higher temperature to reach above the b2 phase towards the Fe-Te binary high-temperature rhombohedral phase, [2] also known as b 0 .…”
Section: Discussionmentioning
confidence: 94%
“…Such associates were already considered by Koza.ke vitch et al [60] to explain the role of sulphur in cast iron melts. They have been aJso seen to be necessary for appropriate thermodynamic de scription of the Fe S [61,62] and Fe Te [63] systems. This suggests that the existence of these associates is the fundamental reason for S and Te to preferentially adsorb on basal planes.…”
Section: These Calculations Thus Support the Suggestion Made Above Thmentioning
confidence: 99%
“…The phase diagrams and thermodynamic interactions between the major alloying elements (Cr, Fe, Ni) and Te were studied by numerous authors: Cr-Te [14]- [16], Fe-Te [17]- [20] and Ni-Te [21] [22].…”
Section: Thermodynamic Considerationsmentioning
confidence: 99%