Simulation of Fe-Ti-Sb Thernary Phase Diagram at Temperatures above 900 K

Author:

Tukmakova Anastasiia1,Novotelnova Anna1,Taskaev Sergey2,Miki Hiroyuki3,Khovaylo Vladimir4

Affiliation:

1. ITMO University

2. Chelyabinsk State University

3. Tohoku University

4. National University of Science and Technology “MISiS”

Abstract

Heusler alloys have been considered as one of the most promising thermoelectric materials for electrical power generation in a temperature range of 500–800 °C. Establishment of phase diagrams allows one to predict formation, equilibria, and stability of phases in of these ternary alloys. In this work we report on the simulation and investigation of phase diagram and phase equilibria in ternary Ti-Fe-Sb system which is of considerable interest for thermoelectric applications. The simulation was carried out using the CALPHAD method in Pandat software. The existence of the thermoelectric Heusler TiFe1.5Sb phase was revealed in a temperature range from 970 to 1070 K. The equilibria between TiFe1.5Sb and other phases were determined. The entropy of formation was calculated for the phases existing at 970, 1020 and 1070 K using a fitting approach. A narrow equilibrium region containing pure body centered cubic Fe and TiFe1.5Sb was found.

Publisher

Trans Tech Publications, Ltd.

Subject

Mechanical Engineering,Mechanics of Materials,General Materials Science

Reference37 articles.

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2. C. Uher: Materials Aspect of Thermoelectricity (CRC Press, Boca Raton, 2017).

3. K. Koumoto and T. Mori: Thermoelectric Nanomaterials (Springer-Verlag Berlin Heidelberg, 2013).

4. Q. Zhang, F. Cao, W. Liu, K. Lukas, B. Yu, S. Chen, C. Opeil, D. Broido, G. Chen and Z. Ren: J. Am. Chem. Soc. Vol. 134 (2012), p.10031.

5. A.D. LaLonde, Y. Pei and G.J. Snyder: Energy Env. Sci. Vol 4 (2011), p. (2090).

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