Experimental search for high-temperature ferroelectric perovskites is a challenging task due to the vast chemical space and lack of predictive guidelines. Here, we demonstrate a two-step machine learning approach to guide experiments in search of xBiO3–(1 − x)PbTiO3-based perovskites with high ferroelectric Curie temperature. These involve classification learning to screen for compositions in the perovskite structures, and regression coupled to active learning to identify promising perovskites for synthesis and feedback. The problem is challenging because the search space is vast, spanning ~61,500 compositions and only 167 are experimentally studied. Furthermore, not every composition can be synthesized in the perovskite phase. In this work, we predict x, y, Me′, and Me″ such that the resulting compositions have both high Curie temperature and form in the perovskite structure. Outcomes from both successful and failed experiments then iteratively refine the machine learning models via an active learning loop. Our approach finds six perovskites out of ten compositions synthesized, including three previously unexplored {Me′Me″} pairs, with 0.2Bi(Fe0.12Co0.88)O3–0.8PbTiO3 showing the highest measured Curie temperature of 898 K among them.
This review covers recently reported polymer composites that show a thermoelectric (TE) effect and thus have potential application as thermoelectric generators and Peltier coolers. The growing need for CO2-minimizing energy sources and thermal management systems makes the development of new TE materials a key challenge for researchers across many fields, particularly in light of the scarcity or toxicity of traditional inorganic TE materials based on Te and Pb. Recent reports of composites with inorganic and organic additives in conjugated and insulating polymer matrices are covered, as well as the techniques needed to fully characterize their TE properties.
This work establishes the level of uncertainty for electrical measurements commonly made on thermoelectric samples. The analysis targets measurement systems based on the four probe method. Sources of uncertainty for both electrical resistivity and Seebeck coefficient were identified and evaluated. Included are reasonable estimates on the magnitude of each source, and cumulative propagation of error. Uncertainty for the Seebeck coefficient includes the cold-finger effect which has been quantified with thermal finite element analysis. The cold-finger effect, which is a result of parasitic heat transfer down the thermocouple probes, leads to an asymmetric over-estimation of the Seebeck coefficient. A silicon germanium thermoelectric sample has been characterized to provide an understanding of the total measurement uncertainty. The electrical resistivity was determined to contain uncertainty of ±7.0% across any measurement temperature. The Seebeck coefficient of the system is +1.0%/-13.1% at high temperature and ±1.0% near room temperature. The power factor has a combined uncertainty of +7.3%/-27.0% at high temperature and ±7.5% near room temperature. These ranges are calculated to be typical values for a general four probe Seebeck and resistivity measurement configuration.
Smart actuators and intelligent structures are sought after for aeronautical applications. As a result of high Curie temperature (430 °C) and piezoelectric coefficient (>200 pC/N), BiScO3–PbTiO3 (BS-PT) ceramics are prospective materials for high temperature actuators. This paper reports on the temperature dependent electrical, ferroelectric, and electromechanical properties of liquid phase sintered BS-PT ceramics. Compared to solid state sintered BS-PT, liquid phase sintered BS-PT with Bi2O3 showed improved electrical performance: (1) threefold reduction in loss tangent at elevated temperatures, (2) fivefold increase in dc resistivity at high electrical fields, and (3) 15% increase in high field piezoelectric coefficient. Hysteresis loops of the highly resistive ceramics were saturated and showed no major dependence on the magnitude and the frequency of the applied field. BS-PT ceramics exhibit depoling behavior at temperatures below (>350 °C) the Curie temperature (430 °C). Liquid phase sintering using excess Bi2O3 is shown to be a promising approach to produce superior BS-PT ceramics for high temperature actuators.
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