Rate equation theory for the hydrogenation kinetics of Mg-based materials

A uniform solid product layer normally assumed in the shrinking-core model cannot predict the kinetic transition behavior of the H₂ adsorption reactions. In this study, the concept of a uniform solid product layer has been replaced by that of the inward growth of solid products on the solid surface. A rate equation is established to calculate the inward growth of the solid product and was implemented into the shrinking-core model to calculate the H₂ adsorption kinetics for various shapes of Mg-based materials. The prediction accuracy of the developed model is verified from the detailed experimental data. To account for the external gas diffusion around the particle and the intraparticle gas diffusion, an analytical equation is derived using the Thiele modulus method. This model can be used to analyze various kinetic aspects and to analyze the effect of change in the particle microstructure on intraparticle diffusion.     

Effects of interphase on tensile strength of polymer/CNT nanocomposites by Kelly–Tyson theory

The micromechanics models for composites usually underpredict the tensile strength of polymer nanocomposites. This paper establishes a simple model based on Kelly–Tyson theory for tensile strength of polymer/CNT nanocomposites assuming the effect of interphase between polymer and CNT. In addition, Pukanszky model is joined with the suggested model to calculate the interfacial shear strength (τ), interphase strength (σ_i) and critical length of CNT (L_c).The proposed approach is applied to calculate τ, σ_i and L_c for various samples from recent literature. It is revealed that the experimental data are well fitted to calculations by new model which confirm the important effect of interphase on the properties of nanocomposites. Moreover, the derived equations demonstrate that dissimilar correlations are found between τ and B (from Pukanszky model) as well as L_c and B. It is shown that a large B value obtained by strong interfacial adhesion between polymer and CNT is adequate to reduce L_c in polymer/CNT nanocomposites.     

Improvement of dielectric breakdown strength and energy storage performance in Er2O3–modified 0.95Sr0.7Ba0.3Nb2O6-0.05CaTiO3 lead-free ceramics

In this study, 0.95?Sr_0.7Ba_0.3Nb₂O₆-0.05CaTiO₃-x wt% Er₂O₃ ceramics (SBNCTEx; x?=?0–5) were synthesized using traditional solid-state method, and we investigated the microstructure, energy storage properties as well as the relationship between dielectric breakdown strength and interfacial polarization. As compared with pure 0.95?Sr_0.7Ba_0.3Nb₂O₆-0.05CaTiO₃ ceramics, the Er₂O₃ dopants suppressed the grain growth of SBNCTEx, and the doped ones showed the dense microstructure. The secondary phase was found for x?≥?1 according to the EDS results, and the influence of the secondary phase on relative dielectric breakdown strength has also been studied. The dielectric breakdown strength increased from 18.1?kV/mm to 34.4?kV/mm, which is good for energy storage. The energy storage density of 0.28?J/cm³ and the energy storage efficiency of 91.4% were obtained in the SBNCTE5 ceramics. The results indicate that SBNCTE ceramics can be used as energy storage capacitors.     

A novel Ag–CuAlO2 sealant for reactive air brazing of 3YSZ and AISI 310S

Based on reactive air brazing (RAB), we designed a new type of sealant (Ag–xCuAlO₂) for joining 3 mol.% yttria-stabilized zirconia (YSZ) ceramics and AISI 310S stainless steel. The CuAlO₂ content affected the wettability of the sealant on the YSZ surface, and the joints had a high shear strength when Ag–2 wt.%CuAlO₂, which had a small contact angle on the YSZ substrate, was used as the sealant. In addition, the thickness of the oxide layer was reduced compared to that for the Ag–CuO sealant. The effects of the processing parameters on the microstructure and shear strength of the joints were investigated, and the as-brazed joints reached their highest shear strength (93.7 MPa) when brazed at 1040 °C for 30 min. After high-temperature oxidation at 800 °C for 200 h, the shear strength of the joints remained at 50 MPa, and no apparent change in the microstructure was observed, proving that the joints possessed excellent oxidation resistance.     

The effect of charge on the dihydrogen storage capacity of Sc2–C6H6

The effect of charge on the dihydrogen storage capacity of Sc₂–C₆H₆ has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc₂–C₆H₆ can store 8H₂ with gravimetric density of 8.76 wt %, and one H₂ dissociates and bonds atomically on the scandium atom. The adsorption of 8H₂ on Sc₂–C₆H₆ is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc₂–C₆H₆ can adsorb 3H₂ within 1000 fs at 300K. Compared with Sc₂–C₆H₆, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H₂ are adsorbed in the molecular form. The gravimetric densities of Sc₂–C₆H₆⁺ and Sc₂–C₆H₆²⁺ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc₂–C₆H₆²⁺ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc₂–C₆H₆²⁺ still exceeds the target of US Department of Energy (DOE) under ambient conditions.     

Bond characteristics,vibrational spectrum and optimized microwave dielectric properties of chemically substituted NdNbO4

Coordination chemistry, bond state and vibrational spectrum of co-substituted microwave dielectric NdNb_1-x(Zr_0.5W_0.5)_xO₄ ceramics (x = 0.01∼0.05) were investigated. Raman spectra and XRD refinement showed a solid solution was formed. The compressed and elongated chemical bonds are responsible for the variations of crystal parameters and cell volume. Calculated chemical bond parameters indicated bond covalency, lattice energy and Nb-site bond energy act on the fluctuations of the permittivity, quality factor and temperature coefficient, respectively. Meanwhile, the infrared vibrational spectrum is fitted to quantify the contributions of observed IR mode to the intrinsic loss. Compact ceramic possesses excellent properties: ε_r ∼ 19.2, Q × f ∼ 55282 GHz and τ_f ∼ -11.36 ppm/°C with x = 0.04, at 1250°C.     

Effects of corrosion in liquid fluoride salt on the tensile strength of domestic SiC fibers

The relationship between the tensile strength of corroded domestic second-generation (2ed-gen) SiC fibers at various temperatures for 500 h in 46.5LiF-11.5NaF-42.0KF (mol. %) eutectic salt and the typical microstructure was studied. Weibull theory was used to analyze the critical defects that caused the tensile fracture, and the microstructure of fibers before and after corrosion was characterized. It is concluded that the decrease of tensile strength after corrosion at 800 °C is caused by the surface injury of fibers, which led to the shift of critical defects from the internal defects of virgin fibers to surface defects. Moreover, corrosion at higher temperature accelerates the corrosion process and dissolve the surface O-contained layer thoroughly. This shifts the critical defects back to the internal defects and will be helpful for the recovery of tensile strength of corroded fibers at the higher temperature.     

Ergonomically based design of tractor control tools

Musculoskeletal injuries are well-known disorders among the agricultural tractor operators. Overexertion is a critical factor which can agitate these injuries. Physical body characteristics should be measured for an ergonomically best-fit-optimal design for the operators. In this study, a designed setup was employed to derive the applied forces by tractor operators on the control tools. The different muscle strengths including leg/foot strength, hand push/pull strength, and torque strength applied by both hands were measured. A comparison was made for the obtained values for different strengths by considering the effects of hand dominance. The obtained data were used to estimate the maximum allowed forces in these tools. In contrast to the previous studies, the minimum allowed actuating forces of the pedals were calculated using reasonable assumptions. These values could provide more comfort and less exhaustion for the tractor operators. The obtained ranges were benchmarked against corresponding recommended values in some standards (ISO, ISIRI, and ASABE family). The results revealed the unsuitability of evaluated standards for a proper design and the excessive overestimation of those recommended values (in some cases more than 3 times). In all of the design procedure, a suitable attention was paid to accommodate it with more than 90% of target population.Relevance to industryA prosperous industry which considers ergonomic factors in the design of agricultural machine workplace can overcome the disorders and generate more comfort. Evaluating more exact mechanical forces can result in a suitable design of workplace.     

In situ Raman spectroscopic study towards the growth and excellent HER catalysis of Ni/Ni(OH)2 heterostructure

The electrochemical water splitting to produce H₂ in high efficiency with earth-abundant-metal catalysts remains a challenge. Here, we describe a simple “cyclic voltammetry + ageing” protocol at room temperature to activate Ni electrode (AC-Ni/NF) for hydrogen evolution reaction (HER), by which Ni/Ni(OH)₂ heterostructure is formed at the surface. In situ Raman spectroscopy reveals the gradual growth of Ni/Ni(OH)₂ heterostructure during the first 30 min of the aging treatment and combined with polarization measurements, it suggests a positive relation between the Ni/Ni(OH)₂ amount and HER performance of the electrode. The obtained AC-Ni/NF catalyst, with plentiful Ni–Ni(OH)₂ interfaces, exhibits remarkable performance towards HER, with the low overpotential of only 30 mV at a H₂-evolving current density of 10 mA/cm² and 153 mV at 100 mA/cm², as well as a small Tafel slope of 46.8 mV/dec in 1 M KOH electrolyte at ambient temperature. The excellent HER performance of the AC-Ni/NF could be maintained for at least 24 h without obvious decay. Ex situ experiments and in situ electrochemical-Raman spectroscopy along with density functional theory (DFT) calculations reveal that Ni/Ni(OH)₂ heterostructure, although partially reduced, can still persist during HER catalysis and it is the Ni–Ni(OH)₂ interface reducing the energy barrier of H1 adsorption thus promoting the HER performance.