Good dielectric performance and broadband dielectric polarization in Ag,Nb co-doped TiO2

Due to the demand of miniaturization and integration for ceramic capacitors in electronic components market, TiO₂-based ceramics with colossal permittivity has become a research hotspot in recent years. In this work, we report that Ag⁺/Nb⁵⁺ co-doped (Ag_1/4Nb_3/4)_xTi_1−xO₂ (ANTOx) ceramics with colossal permittivity over a wide frequency and temperature range were successfully prepared by a traditional solid–state method. Notably, compositions of ANTO0.005 and ANTO0.01 respectively exhibit both low dielectric loss (0.040 and 0.050 at 1 kHz), high dielectric permittivity (9.2 × 10³ and 1.6 × 10⁴ at 1 kHz), and good thermal stability, which satisfy the requirements for the temperature range of application of X9R and X8R ceramic capacitors, respectively. The origin of the dielectric behavior was attributed to five dielectric relaxation phenomena, i.e., localized carriers' hopping, electron–pinned defect–dipoles, interfacial polarization, and oxygen vacancies ionization and diffusion, as suggested by dielectric temperature spectra and valence state analysis via XPS; wherein, electron-pinned defect–dipoles and internal barrier layer capacitance are believed to be the main causes for the giant dielectric permittivity in ANTOx ceramics.     

Mixing characteristics for the single and air-water two-phase flows in miniaturized parallel multichannel-based devices

Investigation on the miniaturized parallel multichannel-based devices packed with glass beads to improve the mass exchange execution is the critical focal point of the current study. One of the essential parameters to specify the miniaturized devices' flow distribution is the residence time distribution (RTD). In the present context, the RTDs of a liquid tracer were investigated for the air-water multiphase flows (concurrent) across the multichannel-based miniaturized devices (comprising of 11 similar dimensional parallel channels). The devices were variable in height and packed with glass beads. The conductivity estimations generated the RTD curves and were addressed by the axial dispersion model (ADM). The fluid-flow rates differed within the range of 5–23 ml min⁻¹. The axial dispersion coefficients and the rate of the specific energy dispersion were investigated. The effects of pressure difference and geometry on the hydrodynamic attributes and mixing properties were well-illustrated, and the new correlations were suggested.     

Numerical approach to analyze fluid flow in a type C tank for liquefied hydrogen carrier (part 1: Sloshing flow)

The demand for clean energy use has been increasing worldwide, and hydrogen has attracted attention as an alternative energy source. The efficient transport of hydrogen must be established such that hydrogen may be used as an energy source. In this study, we considered the influences of various parameters in the transportation of liquefied hydrogen using type C tanks in shipping vessels. The sloshing and thermal flows were considered in the transportation of liquefied hydrogen, which exists as a cryogenic liquid at ?253 °C. In this study, the sloshing flow was analyzed using a numerical approach. A multiphase sloshing simulation was performed using the volume of fluid method for the observation and analysis of the internal flow. First, a sloshing experiment according to the gas-liquid density ratio performed by other researchers was utilized to verify the simulation technique and investigate the characteristics of liquefied hydrogen. Based on the results of this experiment, a sloshing simulation was then performed for a type C cargo tank for liquefied hydrogen carriers under three different filling level conditions. The sloshing impact pressure inside of the tank was measured via simulation and subjected to statistical analysis. In addition, the influence of sloshing flow on the appendages installed inside of the type C tank (stiffened ring and swash bulkhead) was quantitatively evaluated. In particular, the influence of the sloshing flow inside of the type C tank on the appendages can be utilized as an important indicator at the design stage. Furthermore, if such sloshing impact forces are repeatedly experienced over an extended period of time under cryogenic conditions, the behavior of the tank and appendages must be analyzed in terms of fatigue and brittle failure to ensure the safety of the transportation operation.     

The effects of washing a collagen sample prior to TEM examination

Transmission electron microscopy (TEM) is an important analysis technique to visualize (bio)macromolecules and their assemblies, including collagen fibers. Many protocols for TEM sample preparation of collagen involve one or more washing steps to remove excess salts from the dispersion that could hamper analysis when dried on a TEM grid. Such protocols are not standardized and washing times as well as washing solvents vary from procedure to procedure, with each research group typically having their own protocol. Here, we investigate the influence of washing with water, ethanol, but also methanol and 2-propanol, for both mineralized and unmineralized collagen samples via a protocol based on centrifugation. Washing with water maintains the hydrated collagen structure and the characteristic banding pattern can be clearly observed. Conversely, washing with ethanol results in dehydration of the fibrils, often leading to aggregation of the fibers and a less obvious banding pattern, already within 1 min of ethanol exposure. As we show, this process is fully reversible. Similar observations were made for methanol and propanol. Based on these results, a standardized washing protocol for collagenous samples is proposed.     

UV curing-assisted 3D plotting of ceramic feedstock containing thermo-regulated phase-separable,photocurable vehicle for dual-scale porosity structure

We propose a novel approach for manufacturing dual-scale porosity alumina structures by UV curing-assisted 3D plotting of a specially formulated alumina feedstock using a thermo-regulated phase separable, photocurable camphene/triethylene glycol dimethacrylate (TEGDMA) vehicle. In particular, 3D plotting process was conducted at - 5 °C, and thus an alumina suspension prepared using liquid camphene/TEGDMA at room temperature could undergo phase separation, resulting in camphene crystals surrounded by walls comprised of liquid photopolymer enclosing alumina particles. To enhance the shape retention ability of extruded filaments, polystyrene (PS) polymer was used as the tackifier. The phase-separated feedrod could be extruded favorably through a nozzle and rapidly photopolymerized by UV light during the 3D plotting process. Three-dimensionally interconnected macropores were tightly constructed, which were separated by microporous alumina filaments, where micropores were created by the removal of camphene crystals via freeze-dying. The macroporosity of porous alumina ceramics was controlled by adjusting the distance between deposited filaments, while their microporosity was kept constant, leading to tightly tailored overall porosity and mechanical properties.     

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

Polyaniline encapsulated Ti-MOF/CoS for efficient photocatalytic hydrogen evolution

We report the study of conductive polyaniline (PANI) chain embedded Ti-MOF functionalized with CoS as a cocatalyst for hydrogen evolution reaction (HER) application. The post synthetically modified hybrid photocatalyst PANI/Ti-MOF/CoS greatly influences the redox and e^? ? h⁺ separation process and exhibits an impressive rate of HER (～1322 μmol h^?1g^?1), suppressing the pristine Ti-MOF (～62 μmol h^?1g^?1) with apparent quantum yield (AQY) of ～3.2 and transient current response of ～46.4 μA cm^?2. In this system, Ti-MOF provides the circulation of Ti³⁺ and Ti⁴⁺ to the reaction of photocatalytic H₂ generation, where the additional PANI and CoS amended the performance of H₂ production through electron enrichment and thereby improving the stability and integrity of Ti-MOF. The Electrochemical studies demonstrated increased photocurrent by interweaving Ti-MOF crystal with PANI through cation-π interaction thereby enhancing interface connection and then promoting electron transfers. The charge dynamics revealed the initial charge transfer from photoexcited PANI to encapsulated MOF framework to boost the photocatalytic performance of the system. Further, the electron movement at the Ti-MOF/CoS interface is investigated through work function and electrochemical potential of electrons (Fermi level). DFT results demonstrate the importance of CoS in improving the photocatalytic performance of hybrid Ti-MOF catalyst, which leads to superior catalytic behaviour. These results establish that the encapsulation of catalytic active sites inside MOFs with desirable energy band gaps would be an ideal choice for the production of solar fuels.     

Investigation of liquid water heterogeneities in large area proton exchange membrane fuel cells using a Darcy two-phase flow model in a multiphysics code

Proper management of the liquid water and heat produced in proton exchange membrane (PEM) fuel cells remains crucial to increase both its performance and durability. In this study, a two-phase flow and multicomponent model, called two-fluid model, is developed in the commercial COMSOL Multiphysics® software to investigate the liquid water heterogeneities in large area PEM fuel cells, considering the real flow fields in the bipolar plate. A macroscopic pseudo-3D multi-layers approach has been chosen and generalized Darcy's relation is used both in the membrane-electrode assembly (MEA) and in the channel. The model considers two-phase flow and gas convection and diffusion coupled with electrochemistry and water transport through the membrane. The numerical results are compared to one-fluid model results and liquid water measurements obtained by neutron imaging for several operating conditions. Finally, according to the good agreement between the two-fluid and experimentation results, the numerical water distribution is examined in each component of the cell, exhibiting very heterogeneous water thickness over the cell surface.     

Effects of an inhomogeneous electron density distribution on the hydrogen distribution in TiZrTaNbAl multi-principal element alloys

A body-centered cubic equiatomic TiZrTaNbAl multi-principal element alloy (MPEA) with elemental fluctuations was investigated to further understand the relationship between the microstructure and hydrogen distribution. In this study, a composition dependence of the hydrogen distribution was observed in the TiZrTaNbAl MPEA. An inhomogeneous electron density distribution of the MPEA was revealed by advanced differential phase-contrast scanning electron microscopy (DPC-STEM) for the first time. The results showed that the electron density has a significant effect on the hydrogen distribution in TiZrTaNbAl MPEAs. This work provides new insight into the design of materials with high hydrogen storage capacity and high hydrogen embrittlement resistance.