Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

The {100} facet of single-crystalline TiO₂(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO₂(B) nanobelts from H₂Ti₃O₇ with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO₂ formula with specific capacity up to 335 mAh g⁻¹, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g⁻¹ after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures.     

Investigation of the piezoelectric and anti-reduction properties of (Ba,Ca) (Ti,Sn, Hf) textured ceramics prepared under low oxygen partial pressure conditions at low sintering temperatures

Multilayer piezoelectric ceramics must be sintered in a reducing atmosphere, preventing oxidation of the inner base metal. Plate-like textured (Ba, Ca)(Ti, Sn, Hf)O₃ ceramics with a <001> preferred orientation were successfully developed at a low oxygen partial pressure (PO₂:10^?8 atm) using a BaTiO₃ (BT) template with sintering temperatures < 1300 °C, which is beneficial for multilayer applications using base metal co-firing with ceramics. When adding the 3 wt% BT template, the proposed samples had a Lottgering factor of 84 %, piezoelectric coefficients d₃₃ = 324 pC/N, -d₃₁ = 122 (pC/N), and Q_m = 452, and the strain values increased from 0.07 % for the randomly oriented ceramics to 0.115 % at 20 kV/cm for the textured ceramics, confirming that the texturing behavior assisted the grain growth and improved both the soft and hard behaviors and insulation resistance of the proposed lead-free ceramics. These findings make a significant contribution to the production of high-power piezoelectric components.     

消色差超构表面复合透镜

超构表面因其体积轻薄易于集成化，有望在某些特定场合取代传统透镜实现多功能光学器件。超构表面的光束偏转角随波长的增加而增大，与传统折射透镜相比产生相反的色散，这种色散又被称为“异常色散”或“负色散”。理论上利用超构表面的负色散和传统折射光学器件的正色散相抵消，可以完全矫正光学系统的色差。由此出发，设计了一种基于光刻胶材料，由Pancharatnam-Berry（PB）相位型超构表面作为第一透镜，传统球面透镜作为第二透镜的消色差超构表面复合透镜，利用时域有限差分数值模拟软件FDTD Solutions探索了该透镜在780～980 nm波段的聚焦性能，证明了消色差光刻胶超构表面复合透镜优异的消色差效果。相对传统的消色差超构表面通过相位补偿来消色差的方法，这种消色差设计简单且高效，为特定波段内的消色差成像提供了一定的借鉴意义。     

Sparse spectrum fitting algorithm using signal covariance matrix reconstruction and weighted sparse constraint

Multidimensional Systems and Signal Processing - Although sparse spectrum fitting algorithm has good multi-target resolution, the performance is decreased under the influence of strong...     

A generalized CFD model for evaluating catalytic separation process in structured porous materials

A hybrid multiphase model is developed to simulate the simultaneous momentum, heat and mass transfer and heterogeneous catalyzed reaction in structured catalytic porous materials. The approach relies on the combination of the volume of fluid (VOF) and Eulerian–Eulerian models, and several plug-in field functions. The VOF method is used to capture the gas–liquid interface motion, and the Eulerian–Eulerian framework solves the temperature and chemical species concentration equations for each phase. The self-defined field functions utilize a single-domain approach to overcome convergence difficulty when applying the hybrid multiphase for a multi-domain problem. The method is then applied to investigate selective removal of specific species in multicomponent reactive evaporation process. The results show that the coupling of catalytic reaction and interface species mass transfer at the phase interface is conditional, and the coupling of catalytic reaction and momentum transfer across fluid–porous interface significantly affects the conversion rate of reactants. Based on the numerical results, a strategy is proposed for matching solid catalyst with operating condition in catalytic distillation application.     

Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

Trimetallic NiFeCr-LDH/MoS2composites as novel electrocatalyst for OER

The development of efficient and stable oxygen evolution reaction (OER) catalysts is an ongoing challenge. In order to solve the problem of low oxygen evolution efficiency of the current OER catalysts, a novel material was synthesized by the incorporation of NiFeCr-LDH and MoS₂, and its structural and electrochemical properties were also investigated. The introduction of MoS₂ improves the electrochemical performance of NiFeCr-LDH. The polarization curve shows that the potential of composite material is only 1.50 V at a current density of 10 mA cm^?2, which is far superior to commercial precious metal catalysts. In addition, the stability experiment shows that the composite material has excellent stability, and the current density has little change after 500 cycles. Furthermore, we found that some metal ions, such as Ni, Cr and Mo, exist in the form of high valence on the surface of NiFeCr-LDH@MoS₂, which is also conducive to the occurrence of oxygen evolution reaction.     

货车转向架服役期间车辆安全性演变规律研究

针对影响车辆运行性能的关键尺寸和参数,结合运用磨耗规律对转向架现场调研的结果,以C70型敞车为研究对象开展动力学仿真分析计算,确定转向架服役性能演变规律,以及转向架服役期间车辆安全性指标变化情况。结果表明:随着服役时间的增加,车辆在直线行驶时的各安全性指标均增大,但安全性指标值满足国内相关标准,当车辆参数达到检修限值时,车辆在高速行驶时会出现脱轨风险;而随着服役时间的增加,车辆的曲线通过性会出现一定程度的先转好再恶化的过程,这是由于车轮在磨耗后,等效锥度增大而导致,同时车辆在空车和重车工况下,安全性演变规律相似。