|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Phase Stability, Phase Transformations, and Reactive Phase Formation in Electronic Materials XVI
||Phase Transformations at Thermoelectric-Metal Interfaces - Thermodynamic Modeling
||Yong-Jie Hu, Yi Wang, Samad Firdosy, Zi-Kui Liu, Samad Firdosy, Kurt Star, Jean-Pierre Fleurial, Vilupanur Ravi
|On-Site Speaker (Planned)
Thermodynamic modeling of the Yb-Mn-Sb-Ni quaternary system was carried out by a CALPHAD approach to understand the phase equilibrium at the interface between the semiconducting, thermoelectric Yb14MnSb11 (zintl) material and metallic nickel. The thermodynamic properties of the intermetallic compounds were investigated via a first-principles phonon approach. Five binary systems, i.e., YbNi, YbNi2, Yb2Ni3, YbNi5, and YbNi17, and four ternaries YbMn2Sb2, YbNiSb, MnNiSb and Yb14MnSb11 were studied. The thermodynamic properties of Yb14MnSb11, including the phonon density of state, heat capacity, entropy, thermal expansion and elastic moduli, were evaluated and compared with available experimental data. The thermodynamic properties of the Yb-Ni binary system were re-assessed based on first-principles thermochemical data and experimental data. A thermodynamic description of the Yb-Mn-Sb-Ni quaternary system developed by combining the previously modeled constituent binary systems and the calculated thermodynamic properties of the constituent ternary compounds will be presented along with relevant insights into the interfacial reactions.
||Planned: Supplemental Proceedings volume