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Viscosity and heat capacity of As<sub>2</sub>Se<sub>3</sub> connected via Adam–Gibbs model

AbstractThe viscosity data measured by penetration and parallel‐plate methods for As2Se3 glass and undercooled melt were compared with literature data. The MYEGA equation (log η0 = −4.67 ± 0.12, m = 43.2 ± 0.4, and T12 = 441.7 ± 0.3 K) was used for the description of the selected viscosity data, including melt region (15 orders of magnitude). The heat capacity data for As2Se3 glass, undercooled melt, and melt, as well as for crystalline As2Se3 were determined for low and medium‐range temperature intervals. These data were compared with previously reported data. Equations that describe the heat capacity of As2Se3 in a broad temperature interval were formulated. The values of the standard molar enthalpy, Δ0THm0, and entropy, Δ0TSm0, at T = 298.15 K are 26.202 kJ·mol−1 and 193.8 J·mol−1·K−1, respectively. The heat capacity data determined from very low temperatures were used for the calculation of crystal, glass, and melt entropies. These heat capacity temperature dependencies were used both for the estimation of the Kauzmann temperature (TK = 292.5 K) and the glass entropy at 0 K (S0 = 25.96 J·mol−1·K−1), and for the determination of the excess entropy. The proportionality between the viscosity of the As2Se3 melt and the excess entropy clearly indicates the applicability of the Adam–Gibbs (AG) model.

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Influence of temperature on rheological properties during early‐stage geopolymerization

AbstractMetakaolin geopolymers have gained much interest as a large‐scale, 3D printable material. It is well known that increasing temperature can expedite the geopolymerization reaction, but little is known about how the temperature variability of the printing environment can influence the rheology of fresh geopolymer pastes. In this study, the influence of temperature on the viscosity of potassium geopolymer pastes was investigated under constant shearing at rates of 25, 50, or 100 s−1, yield stress measurements, and oscillatory motion. The temperature range examined was 5°C–55°C, in systematic 5°C increments. It was found that temperatures above 30°C resulted in lower starting viscosities compared to colder temperatures, but eventually exhibited an exponential increase in viscosity as the geopolymerization chemical reaction became dominate. In addition, a higher shear rate delayed, but did not stop, the exponential increase in viscosity from occurring. Yield stress values also reflected an upward trend with increasing temperatures after a 30‐min temperature soak. Lastly, oscillatory measurements indicated that viable printing times for 50°C or above were as little as 50–60 min total and were compared to Vicat needle testing. Overall, the influence of temperature on rheological properties could be used to manipulate the geopolymer viscosity for optimum printing conditions.

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Facilitated reversible domain switching at multiphase boundary in periodically orthogonal poled KNN‐based ceramics: Strain versus non‐180<sup>o</sup> domain

AbstractAlthough many approaches have been implemented to tailor the strain in potassium sodium niobate (KNN)‐based ferroelectrics, they still suffer from poor strain compared to shape memory alloys and giant magnetostrictive materials. Herein, a strategy of periodic orthogonal poling is implemented in KNN‐based ceramics with multiphase boundaries, and the correlation between the amount of non‐180° domain and strain is established, revealing that the mechanisms of interfacial stresses facilitate reversible domain switching during the periodic orthogonal poling. Owing to the self‐generated interfacial stresses between the adjacent regions with different poling directions, an enhanced strain benefits from non‐180° domain switching, which is reversible during periodic orthogonal poling. The enhancement in strain decreases from O‐T to R‐O‐T to the R‐T phase boundary, which corresponds to the different quantity of the non‐180° domain, indicating that a large amount of non‐180° domains can further boost high strain under periodic orthogonal poling. Notably, a slight frequency‐dependent strain was observed across the frequency range of 1‒50 Hz. Therefore, an ideal strain can be further induced by enhancing the amount of reversible non‐180° domain switching in the multiphase boundary during periodic orthogonal poling, which can serve as a guide for the design of high‐performance KNN materials.

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The magnetocaloric, magnetic, optical, and thermoelectric properties of EuB<sub>6</sub> compound: DFT and Monte Carlo study

AbstractThe hexaboride EuB6 has been proven to have qualities that theoretically travel from being electronic to being magneto‐caloric. Under GGA‐PBE and GGA + SOC + U schemes, first‐principles calculations have been used to examine the electronic band structure and density of states. The magnetic moment and the interaction constant have each been calculated using DFT. Additionally, the thermoelectric properties are considered within the particular transport restrictions in order to determine the dimensionless figure of merit (ZT). The extremum of the ZT for EuB6 is determined by using the Seebeck, electrical, thermal, and lattice conductivity coefficients, which are computed. At 1800 K, a maximum ZT of 0.22 is discovered. The computed values of optical conductivity, electron energy loss, absorption coefficient, dielectric tensor, refractive index, and extinction coefficient throughout the range of 0–13 eV anticipate the optical considerations of such an alloy. The infrared spectrum is that where this chemical is active. The critical temperature (Tc) has been determined using the Metropolis algorithm and the Monte Carlo simulation. The material exhibits a ferromagnetic to paramagnetic phase transition, as indicated by temperature‐dependent magnetization. The magnetocaloric efficiency of this material can be measured using the magnetic entropy change (−ΔSm) and the relative cooling power.

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