Poling tuning: A plausible solution for minimizing microphony and secondary pyroelectric coefficient in ferroelectrics

This study proposes the idea of reducing the microphony effect and secondary pyroelectric coefficient in pyroelectric detectors by tuning the poling orientation. Mathematically, it has been shown that piezoelectric strain coefficients get altered by changing the poling direction. Eventually, for a couple of materials it has been demonstrated that microphony and secondary pyroelectric coefficient can be diminished by poling them at a given orientation. The poling angle nullifying secondary pyroelectric coefficient was found to be 58.2°, 47.1°, and 78.9° for (PZN-0.08PT), (PMN-PT), and (BCT-0.48BZT) respectively while no such value existed for (PZT-5A).     

Temperature deformation of 1-3 cylindrical curved composite

Piezoelectric composites will cause different degrees of deformation when ambient temperature changes during transportation, storage and use, affecting the performance and reliability seriously. The deformation measurement of cylindrical piezoelectric composites based on fiber Bragg grating (FBG) measurement is presented in this paper. The deformation and electromechanical properties of cylindrical piezoelectric composites over a wide range of temperature, from 233 K to 373 K, are investigated in detail. The deformation of piezoelectric composites in different directions is calculated. Adding deformation information, the frequency constant and dielectric constant data are modified. The results show that, at 233 K, the relative change of curvature of the cylindrical composite material in the arc direction is 0.024% and the relative change of deformation in the width and thickness direction are 0.018% and 0.026%, respectively. When the environment's temperature is increased to 100℃, the relative change of curvature in the arc direction is 0.019% and the relative changes of deformation in the width and thickness direction are 0.019% and 0.008%, respectively. After adding the deformation information, the most evident changes of frequency constant and dielectric constant are between 303 K and 333 K, the rate of change (slope) of frequency constant and the dielectric constant are −1.82983 (decreasing) and 3.85591 (increasing), respectively.     

Visible light active heterostructured photocatalyst system based on CuO plate-like particles and SnO2 nanofibers

In this study, CuO–SnO₂ p-n type heterostructures were produced and tested for the degradation of methylene blue and 4-nitrophenol under visible light irradiation. CuO particles were produced in plate-like morphology using hydrothermal synthesis. SnO₂ nanofibers were obtained by electrospinning. Structural, morphological, optical and semiconducting property characterization of heterostructured CuO–SnO₂ and individual phases were performed. The photocatalytic activity was found to change depending on the amount of CuO particles in heterostructured samples. Among others, the sample with 0.35 wt.% CuO–SnO₂ showed the highest photocatalytic efficiency with a degradation rate constant ~2 h⁻¹. Active specie scavenger tests revealed that the decomposition reaction occurs through direct oxidation mechanism by the holes in the valence band of SnO₂ in pure samples whereas in CuO–SnO₂ samples and radicals also form and involve in the reactions. Further, the photocatalytic degradation mechanism was revealed using relative band potentials and p-n junctions of the heterostructured photocatalyst.     

Frequency dependence of antiferroelectricferroelectric phase transition of PLZST ceramic

Antiferroelectric (AFE) ceramics are promising for applications in high-power density capacitors, transducers, etc. The forward switching field and backward switching field are critical performance indicators for AFE ceramics, and the coupling between the structure transition and domain orientation makes them different from the coercive field of ferroelectric (FE). Moreover, in practical applications, AFE ceramics are often required to operate at varying frequencies. However, systematic studies regarding the frequency dependence of and are insufficient. In this work, (PLZST) AFE ceramic was fabricated, and two empirical formulas (, ) were proposed to predict the frequency dependence of and . The formulas are based on the electric field–induced phase transition characteristics of AFE and the Kolmogorov–Avrami–Ishibashi domain nucleation-switching model. Furthermore, the dynamic hysteresis loops of PLZST at various frequencies (1–1000 Hz) and temperatures (–) were investigated. The results show that the electric field–induced phase transition of AFE ceramic is dominated by the coupling between the structural transition and domain orientation. The domain orientation hinders the structure transition, leading to an increase in and a decrease in as the frequency of applied electric field increases. Meanwhile, the domain growth process is affected by the structure of AFE, and the value of (domain growth dimensionality) increases with the stability of the AFE structure. For comparison, (PLBZST) relaxor FE ceramic was fabricated. Due to the high mobility of the microdomain, the dynamic hysteresis loop of PLBZST ceramic exhibits excellent frequency stability. The charge–discharge experiment with an ultrahigh equivalent frequency (100 kHz) was performed to investigate the frequency stability of energy release of PLZST and PLBZST. The results may provide guidance for research pertaining to ceramic capacitors with high-power density and high-frequency stability.     

Fe doping effect on EuTiO3: The magnetic properties and giant magnetocaloric effect

The magnetic properties and magnetocaloric effect for EuTi_1-xFe_xO₃ (x = 0.05, 0.1) compounds are investigated. When a part of Ti⁴⁺ions were substituted by Fe ions, the AFM ordering can be significantly changed to be FM. The EuTi_1-xFe_xO₃ (x = 0.05, 0.1) compounds exhibit a PM to FM transition with decreasing temperature and the Curie temperature is 6 K. Under the field changes of 1 T, and RC are valued to be 10.1 J/kg K and 50.2 J/kg for EuTi_0.95Fe_0.05O₃; 9.6 J/kg K and 47.7 J/kg for EuTi_0.9Fe_0.1O₃, without magnetic and thermal hysteresis. RC is almost twice as much as EuTiO₃ (27 J/kg) as substitution of Fe³⁺ ions for Ti⁴⁺ions, which may be attributed to the magnetic transition (AFM to FM). Therefore, the giant and large RC suggest the EuTi_1-xFe_xO₃ compounds are good materials for magnetic refrigerant.     

On the Use of Side-Chain NMR Relaxation Data to Derive Structural and Dynamical Information on Proteins: A Case Study Using Hen Lysozyme

Values of and order parameters derived from NMR relaxation measurements on proteins cannot be used straightforwardly to determine protein structure because they cannot be related to a single protein structure, but are defined in terms of an average over a conformational ensemble. Molecular dynamics simulation can generate a conformational ensemble and thus can be used to restrain and order parameters towards experimentally derived target values (exp) and (exp). Application of and order-parameter restraining MD simulation to bond vectors in 63 side chains of the protein hen egg white lysozyme using 51 (exp) target values and 28 (exp) target values shows that a conformational ensemble compatible with the experimentally derived data can be obtained by using this technique. It is observed that order-parameter restraining of C−H bonds in methyl groups is less reliable than order-parameter restraining because of the possibly less valid assumptions and approximations used to derive experimental (exp) values from NMR relaxation measurements and the necessity to adopt the assumption of uniform rotational motion of methyl C−H bonds around their symmetry axis and of the independence of these motions from each other. The restrained simulations demonstrate that side chains on the protein surface are highly dynamic. Any hydrogen bonds they form and that appear in any of four different crystal structures, are fluctuating with short lifetimes in solution.     

Design of a defect-induced orange persistent luminescence phosphor BaZnGeO4:Bi3+

We report a novel bright orange persistent luminescence (PersL) phosphor BaZnGeO₄:Bi³⁺ with broad emission and PersL spectra. Its crystal structure, photoluminescence (PL) spectra, thermoluminescence (TL) spectra and PersL spectra were investigated in detail. The two emission bands at 440 nm and 595 nm originate from Bi³⁺ ions in normal Ba²⁺ sites (Bi1) and Ba²⁺ sites close to vacancy defects (Bi2), respectively. The introduction of and defects improves the emission intensity of Bi2 more than that of Bi1, demonstrating that Bi2 is related to the vacancy defects. The orange emission and PersL properties of BZGO:Bi³⁺ can be improved when a little and defects are introduced, because the introduction of and defects makes it easier for Bi³⁺ to enter in Ba²⁺ sites; and for PersL, and defects can perform as the effective trap centers to capture more charges, which is beneficial for PersL. BZGO:Bi³⁺ has quite good thermal stability, and the bright orange PersL can be observed by the naked eye for 1 h. Finally, a feasible PersL mechanism of BZGO:Bi³⁺ was proposed to clarify the PersL-generation process.     

Fouling mitigation in crossflow filtration using chaotic advection: A numerical study

Fouling mitigation in a crossflow filtration system using chaotic advection is numerically studied. A barrier-embedded partitioned pipe mixer (BPPM) is selected as a static mixer, creating chaotic advection in a laminar flow regime. Mixing characteristics are controlled via two design parameters, the mixing protocol and the dimensionless barrier height (β). The average dimensionless concentration boundary layer thickness () and the surface-averaged dimensionless wall concentration () dramatically decrease with the introduction of the BPPM, incorporating a chaotic flow system. and decrease as β increases, and the largest reduction of is observed in the counter-rotational protocol. A semi-ring configuration is revealed to be the most appropriate configuration to characterize mixing near the membrane surface. It is found that a filtration system with a globally chaotic flow shows the best mixing performance and the largest reduction of fouling.     

Ultralow dielectric loss in Y-doped SrTiO3 colossal permittivity ceramics via designing defect chemistry

Effects of doping of Y and sintering atmosphere on the dielectric properties of Sr_1-1.5xY_xTiO₃ ceramics (SYT, x = 0-0.014) were systematically investigated. The SYT14 (x = 0.014) ceramic sintered in N₂ attains a colossal permittivity (CP, Ɛ_r = 28 084@ 1kHz, 27 685@ 2MHz) and an ultralow dielectric loss (tanδ = 0.007@ 1kHz, 0.003@ 2MHz) at room temperature. Because of using of the A-site deficient, there are in SYT ceramics. Through the comprehensive analysis of dielectric responses, X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR), and complex impedance data, it is proved that doping of Y promotes the formation of (Y³⁺ are located at Sr²⁺ site), (Y³⁺ are located at Ti⁴⁺ site), and Ti³⁺, and sintering in reducing atmosphere of N₂ results in more (oxygen vacancy) and (strontium vacancy) generating in SYT ceramics. The defect dipoles, , , , , , and formed by introduced defects make charge carriers localized in SYT ceramics. The combined action of the massive defect dipoles is responsible for the ultralow tanδ and CP in SYT14 ceramics sintered in N₂.     

Thermoelectric properties and phase transition of doped single crystals and polycrystals of Bi2Te3

The temperature dependences of the electrical conductivity , Seebeck coefficient , and heat capacity C_p(T) of polycrystalline samples of Bi₂Te₃, Bi₂Te₃+1%CuI, and Bi₂Te₃+1%(CuI+1/2Pb) are investigated in the temperature range below room temperature. Based on the temperature dependences of all investigated physical properties, it is discovered that phase transition occurs at 120–200 K. Investigation of single crystals shows that anomalies in the electrical resistivity occur only across the crystal growth axis (across the well-conducting Bi–Te plane). Investigation of the low-temperature dependence of electrical conductivity shows that all polycrystalline samples exhibit quasi-two-dimensional electron transport. Additionally, quasi-two-dimensional transport is detected in single crystals based on anisotropy analysis (where is the resistivity along the crystal growth axis, and is resistivity across the crystal growth axis) and temperature dependence below 50 K. The Fermi energy is estimated using the temperature dependence of . It is discovered that an increase in at T > 200 K is associated with the phase transition. For single-crystal samples, the maximum thermoelectric figure of merit ZT, as observed along the crystal growth axis, increases with doping. A maximum ZT value of ∼1.1 is observed for the Bi₂Te₃+1%(CuI+1/2Pb) sample at room temperature ().     

Investigation of the effect of surface phosphate ester dispersant on viscosity by coarse-grain modeling of BaTiO slurry

To understand the role of phosphate ester dispersant, we investigated the rheology of a BaTiO slurry. For the model case, a coarse-grain molecular dynamics (CGMD) simulation was performed with the butyral polymer didodecyl hydrogen phosphate (DHP) in the toluene/ethanol solvent. By systematically analyzing the effect of DHP from an atomic-scale first principle and from all-atom MD to microscale CGMD simulation, we investigated how the adsorption of a DHP dispersant on a BaTiO surface affects the microstructure rheology of a BaTiO slurry. The first-principle and all-atom MD simulation suggests that DHP molecules prefer to locate near the BaTiO surface. CGMD simulation shows a reduction in viscosity with an increase in dispersants, suggesting that the dispersant population near the BaTiO surface plays a key role in controlling the rheology of the BaTiO slurry. In this study, we propose an approach for understanding the BaTiO slurry with molecular-level simulations, which would be a useful tool for efficient optimization of slurry preparation.     

Combined electromechanical dynamic fracture behavior of lead zirconate titanate (PZT)

Coupon specimens of poled and depoled lead zirconate titanate (PZT) are examined under combined stress wave and electric loading conditions. Mode-I crack initiation and fracture behavior is examined using ultrahigh-speed imaging and two-dimensional digital image correlation. The dynamic critical stress intensity factor () is extracted using measured displacement fields ahead of the impulsively loaded crack tip, and compared between poled and depoled plates that were either under no electric field, positive 0.46 kV/mm electric field, or negative 0.46 kV/mm electric field. Poled specimens had a poling direction and applied electric field direction normal to the crack front. The addition of an electric field resulted in a crack-enhancing effect, where the dynamic fracture toughness of poled specimens under 0.46 kV/mm was almost half that of samples with no electric field. Depoled samples experienced almost no change in dynamic fracture toughness with the addition of an electric field.     

Ni-YSZ(001) solid-solid interfacial energy and orientation relationships

Equilibrated Ni particles were produced via solid-state dewetting of continuous Ni films deposited on the (001) surface of yttrium stabilized zirconia (YSZ). The solid-solid interface energy of the equilibrated Ni(111)-YSZ(001) interface was determined using Winterbottom analysis. Two low-index orientation relationships (ORs) were found using the selected area electron diffraction patterns in transmission electron microscopy: (OR₁) and (OR₂). However, many particles were found to deviate from these low-index ORs while maintaining the out-of-plane orientation, . The interface energy was measured to be 2.5 ± 0.1 J/m² regardless of the in-plane orientation. The orientation distribution was determined using electron backscattered diffraction for Ni particles on both (111) and (001) YSZ substrates and was found to correlate well with the interface energies measured in a previous study for the Ni-YSZ(111) interface and in the present study for the Ni-YSZ(001) interface.     

Synchrotron x-ray spectroscopy investigation of the Ca1−xLnxZrTi2−x(Al,Fe)xO7 zirconolite ceramics (Ln = La,Nd, Gd,Ho, Yb)

When incorporating actinides into zirconolite for high-level radioactive waste immobilization, Al³⁺ and Fe³⁺ ions generally act as charge compensators. In this study, we rationally designed a series of (Ln = La, Nd, Gd, Ho, Yb) to unravel the dopant solubility and evolutions of the crystalline phase and local environment of cations through synchrotron X-ray methods. It was found that single zirconolite phase is difficult to obtain and the fraction of perovskite have an increase with x from 0.1 to 0.9 in . Formation of both zirconolite-2M and zirconolite-3O phases was observed in and . Phase transformation from zirconolite-2M to 3O occurs at x = 0.7 for while x = 0.9 for . The solubility of and to form single zirconolite-2M can reach to 0.9 f.u. and 0.7 f.u., respectively. The evolution of lattice parameters of zirconolite in is greatly related to the ionic radii of cations and substitution mechanism among the cations. X-ray absorption near edge spectroscopy revealed that Fe³⁺ ions replace both five- and six-coordinated Ti sites and the ratio of TiO₅ to TiO₆ decreases when increasing dopant concentration in the . For the local environment of Zr⁴⁺, the major form is ZrO₇ with a trace of ZrO₈.     

Mechanical characterization of boron carbide single crystals

Out-of-plane anisotropy in the mechanical response of boron carbide was studied by performing nanoindentation experiments on four specific crystallographic orientations of single crystals, that is, , , , and . For each orientation of the single crystals, in-plane variations of indentation modulus and hardness were also studied by monitoring the relative rotation between the crystal surface and a Berkovich indenter tip. A significant out-of-plane anisotropy in indentation modulus was observed with ~80 GPa difference between the highest and lowest values. A smaller but measurable out-of-plane anisotropy in indentation hardness was also observed. In-plane anisotropy, on the other hand, was found to be significantly influenced by the scatter in the data and geometrical imperfections of the indenter tip. Investigations of indentation pop-in events suggested that deformation is entirely elastic prior to the first pop-in. Furthermore, quasi-plastic flow along the orientation of the single crystals was found to be more homogeneous than the other tested orientations. For select indents, cross-sectional transmission electron microscopy (TEM) of the indented regions showed formation of a quasi-plastic zone in the form of lattice rotation and various microstructural defects. The quasi-plastic zone grew in size with increasing the indentation depth. The TEM observations also suggested the crystal slip to be a potential mechanism of quasi-plasticity and a precursor for formation of amorphous bands that could eventually lead to cracking and fragmentation. The proposed failure mechanism provides valuable insights for calibrating constitutive computational models of failure in boron carbide.     

Dynamics adsorption of the enhanced CH4 recovery by CO2 injection

The dynamic adsorption isotherms of CO₂-EGR were measured by using an Intelligent Gravimetric Analysis system. In the initial CO₂ injecting stage, all the injected CO₂ enters into the adsorbent and the mole fraction of CH₄ in the gas phase () is maintained at 1.0. The CH₄ recovery factor () increases. The duration of this stage (t_CD) depends on the selectivity of CO₂ over CH₄ (). An adsorbent with large has long t_CD. In the second stage, the injected CO₂ competes with CH₄ for adsorption. The cumulative of the second stage is much larger than that of the initial stage. However, decreases sharply. in the whole CO₂ injection is always larger than that before CO₂ injection, suggesting that CH₄ desorption results from the displacement of CO₂ rather than from pressure depletion.     

Application of fracture mechanics for the characterization of poly(vinyl chloride) pipes. II. Evaluation of a ring-type specimen for fracture mechanics testing

An unplasticized poly(vinyl chloride) (U-PVC) pipe sample used in infrastructure applications in Brazil (nominal diameter DN 100, outside diameter 110 mm) was evaluated according to different fracture mechanics methodologies, including essential work of fracture (EWF) and other fracture toughness parameters such as the stress intensity factor and plane strain energy release rate . This pipe sample was also tested for the quality of processing (degree of gelation) via differential scanning calorimetry (DSC) and tensile strength. The comparative evaluation of different specimen configurations—curved specimens in three-point bending (CTPB) and full rings in tension (SNRT), in thicknesses varying from 5 to 30 mm, showed initial evidence of the suitability of ring-type specimens for the evaluation of EWF and . Results also indicate that the full ring geometry, at least in the present experimental setup, presents some drawbacks probably due to the storage of large amounts of elastic energy throughout the test. This fact leads to relevant deviations in both load–displacement behavior and results for strain energy release rate (), and the results found here will guide future research using full and split rings in different loading modes and improved experimental setups. It was also confirmed that the value of , determined by a modified Charpy test, is independent of the type of specimen tested, as long as the test mode and specimen width are the same. Both the experimental value of and the estimated value for the plane strain stress intensity factor () showed excellent agreement with values reported for other U-PVC compositions.     

The axial dispersion of liquid solutions and solid suspensions in planar oscillatory flow crystallizers

The planar oscillatory flow crystallizer (planar-OFC) was designed with a rectangular cross-section to improve the flow and suspension of solids of conventional OFCs. Residence time distribution experiments with liquid and solid tracers were performed to assess the effect of the net flow rate, Q , the frequency, f , and the amplitude of oscillation, x₀ , on the axial dispersion of liquids, , and solids, , in three planar-OFCs with different geometries. It was found that Q and f have in general positive effects on and , and x₀ has negative effects. Furthermore, identical values of and were obtained in each crystallizer. It was also found that the interaction between Q and x₀ is the most significant one in all systems. These results show that the three crystallizers have similar axial dispersion performances with liquids and solids. This is of paramount importance for multiphase systems such as crystallization.     

Influence of water activity on belite (β-C2S) hydration

The hydration of the two most reactive phases of ordinary Portland cement (OPC), tricalcium silicate (C₃S), and tricalcium aluminate (C₃A) is successfully halted when the activity of water () falls below critical thresholds of 0.70 and 0.45, respectively. It has been established that the reduction in relative humidity (RH) and  suppresses the hydration of all anhydrous phases in OPC, including less explored phases like dicalcium silicate, that is, belite (β-C₂S). However, the degree of suppression, that is, the critical threshold, for β-C₂S, standalone has yet to be established. This study utilizes isothermal microcalorimetry and X-ray diffraction techniques to elucidate the influence of on the hydration of -C₂S suspensions via incremental replacements of water with isopropanol (IPA). Experimentally, this study shows that with increasing IPA replacements, hydration is increasingly suppressed until eventually brought to a halt at a critical threshold of approximately 27.7% IPA on a weight basis (wt.%_IPA). From thermodynamic estimations, the exact critical threshold and solubility product constant of -C₂S () are established as 0.913 and 10^−12.68, respectively. This study enables enhanced understanding of β-C₂S reactivity and provides thermodynamic parameters during the hydration of β-C₂S-containing cementitious systems such as OPC-based and calcium aluminate-based systems.