Theoretical prediction of structure,electronic and optical properties of VH2 hydrogen storage material

The vanadium hydrides have better hydrogen storage capacity in comparison to the other metal hydrides. Although the structure of VH₂ hydride has been reported, the structural stability, electronic and optical properties of VH₂ hydride are unclear. To solve these problems, we apply the first-principles method to study the structural stability, electronic and optical properties of VH₂ hydrides. Similar to the metal dihydrides, four possible VH₂ hydrides such as the cubic (Fm-3m), tetragonal (I4/mmm), tetragonal (P4₂/mnm) and orthorhombic (Pnma) are designed. The result shows that the cubic VH₂ hydride is a thermodynamic and dynamical stability. In particular, the tetragonal (I4/mmm) and the orthorhombic (Pnma) VH₂ hydrides are firstly predicted. It is found that these VH₂ hydrides show metallic behavior. The electronic interaction of V (d-state)-H (s-state) is beneficial to improve the hydrogen storage in VH₂ hydride. In addition, the formation of V–H bond can improve the structural stability of VH₂ hydride. Based on the analysis of optical properties, it is found that all VH₂ hydrides show the ultraviolet response. Compared to the tetragonal and orthorhombic VH₂ hydrides, the cubic VH₂ hydride has better storage optical properties. Therefore, we believe that the VH₂ hydride is a promising hydrogen storage material.     

Designing optical glasses by machine learning coupled with a genetic algorithm

Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties. First, we induced predictive models for the glass transition temperature (T_g) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (n_d) using a dataset of 41,225 compositions with 38 different chemical elements. Then, we searched for relevant glass compositions using a genetic algorithm informed by a design trend of glasses having high n_d (1.7 or more) and low T_g (500 °C or less). Two candidate compositions suggested by the combined algorithms were selected and produced in the laboratory. These compositions are significantly different from those in the datasets used to induce the predictive models, showing that the used method is indeed capable of exploration. Both glasses met the constraints of the work, which supports the proposed framework. Therefore, this new tool can be immediately used for accelerating the design of new glasses. These results are a stepping stone in the pathway of machine learning-guided design of novel glasses.     

Research and development of liquid hydrogen (LH2) temperature monitoring system for marine applications

Monitoring the temperature in liquid hydrogen (LH₂) storage tanks on ships is important for the safety of maritime navigation. In addition, accurate temperature measurement is also required for commercial transactions. Temperature and pressure define the density of liquid hydrogen, which is directly linked to trading interests. In this study, we developed and tested a liquid hydrogen temperature monitoring system that uses platinum resistance sensors with a nominal electrical resistance of approximately 1000 Ω at room temperature, PT-1000, for marine applications. The temperature measurements were carried out using a newly developed temperature monitoring system under different pressure conditions. The measured values are compared with a calibrated reference PT-1000 resistance thermometer. We confirm a measurement accuracy of ±50 mK in a pressure range of 0.1 MPa–0.5 MPa.     

基于K-means和SOM的水下传感器数据采集方法

随着海洋资源勘探和海洋污染物监控工作的开展，水文数据的监测和采集等已经成为重要的研究方向。其中，水下无线传感器网络在水文数据采集过程中起着举足轻重的作用。本文研究的是水下无线传感器二维监测网络模型中，传感器节点数据采集的问题，其设计方法是通过自组织映射（Self-organizing mapping，SOM）对传感器节点进行路径最优化处理，结合优化的路径图形和K-means算法找到路径内部聚合点，利用聚合点和传感器的节点得到传感器通信半径内的数据采集点，最后通过SOM得到水下机器人（Autonomous underwater vehicle，AUV）到各个数据采集点采集数据的最优路径。经过实验验证，在水下1 200 m×1 750 m范围内布置52个传感器节点的情景下，数据采集点相比于传感器节点路径规划采用相同的采集顺序得到的路径优化了6.7%；对数据采集点重新进行自组织路径规划得到的路径比传感器结点路径的最优解提高了12.2%。增加传感器节点的数量，其结果也大致相同，因此采用该方法可以提高水下机器人采集数据的效率。     

Structural,optical, and electrical properties of tin iodide-based vacancy-ordered-double perovskites synthesized via mechanochemical reaction

Over the recent past, lead-based halide perovskite materials have drawn significant attention due to their excellent optical and electrical properties for solar cells and optoelectronics applications. However, the toxicity of lead elements and instability under ambient conditions leads to develop alternative compositions. Herein, we report a novel mechanochemical synthesis of tin iodide-based double perovskites (A₂SnI₆; A = Rb⁺, Cs⁺, methylammonium, and formamidinium), and their structural, optical, and electrical properties are investigated. Importantly, we found that the hydrogen iodide (HI) addition during the ball-milling process minimizes secondary phase formation in the synthesized A₂SnI₆ powders. The effects of HI addition and the A-site substitution are investigated with respect to the lattice parameters, optical bandgaps, and electrical properties of the synthesized perovskite materials. Our results demonstrate essential information to improve the understanding of halide perovskite materials and develop efficient lead-free perovskite photoelectric devices.     

Effect of heat treatment on structural,morphological, dielectric and magnetic properties of Mg–Zn ferrite nanoparticles

Green combustion was used to prepare a ferrite composition of Mg_0.4Zn_0.6Fe₂O₄ using a blend of fresh lemon juice as a natural fuel-reductant. Effect of heat treatment on phase, morphological, dielectric, and humidity sensor properties is discussed. The formation of a cubic spinel ferrite has been established by XRD-diffraction and vibrational spectroscopic studies. The experimental lattice parameter ranges from 8.3721 to 8.3631 Å. The broadening of octahedral band (υ₂) in the vibrational spectra is an identification for the existence of ferrite nanoparticles in various sizes. The typical crystallite size ranges from 10.2 to 36.9 nm. Using micrographs obtained from field-effect scanning electron microscopy (FESEM), researchers observed a spherical-shaped microstructure with agglomerated nanoparticles. Dielectric investigations have shown that the current ferrite composition has typical dielectric dispersion. The highest reported value for saturation magnetization (M_s) in the present study is 33 emu/g. Magnetic behaviour is primarily influenced by magnetocrystalline anisotropy, cation distribution, and crystallite size. The existence of void spaces in the sintered samples, as well as their porous nature, rendered them suitable for humidity sensor applications. Sintered samples have good sensing capability at 900 °C. The current findings are integrated in terms of cation distribution and magnetocrystalline anisotropy, assuming fine size effects of ferrite nanoparticles.     

小型无线场强探测传感器研究

近年来,微波加热因其高效性和清洁无污染等优点广泛应用于各个领域。然而,微波加热的不均匀性限制了微波作为高效加热能源的应用。通过测量和分析加热腔中的电场分布情况可以帮助设计人员改进微波加热腔体设计,提高微波加热的均匀性。现有的场强测量设备均为有线设备,应用场景极为有限。因此,本文提出了一种由探头、接收机和上位机三部分组成的无线场强探测传感器。介绍了无线场强探测传感器的结构和原理,采用横电磁波小室进行校准。通过一系列测量实验表明实测值与标准场强仪测量值一致性较好,可满足工程测量需求。     

Determination of optical and structural properties of lithium silicate ceramics with different ratios of Sm doped

In this study, the synthesis and luminescence characterization of Samarium (Sm³⁺) doped lithium metasilicate (Li₂SiO₃) phosphor ceramic were investigated. It was presented and discussed the results obtained on the luminescence and other optical studies such as X-ray diffraction (XRD), optical absorption and luminescence properties of Li₂SiO₃:Sm³⁺ phosphor ceramic. The Li₂SiO₃ compound was shown a characteristic phase in XRD. The doping in the lithium compound was not having a significant effect on the basic crystal structure of the material. The maximum photoluminescence (PL) emission for Sm³⁺ doped Li₂SiO₃ was observed at 554, 583, 641, 725 nm and bore resemblance to the visible region of the spectrum. The glow curves of all synthesized materials have a complex peak structure after being irradiated with a ⁹⁰Sr–⁹⁰Y beta source. In addition, the peak between 400 and 600 nm was seen in the radioluminescence (RL) spectrum because of a wide peak thought to be caused by silicate.     

Influence of Al3+ doping for V5+ on the structural,optical, thermal and electrical properties of V2-xAlxO5-δ (x=0–0.20) ceramics

This paper reports an investigation on the structure-properties correlation of trivalent metal oxide (Al₂O₃)-doped V₂O₅ ceramics synthesized by the melt-quench technique. XRD patterns confirmed a single orthorhombic V₂O₅ phase formation with increasing strain on the doping of Al₂O₃ in place of V₂O₅ in the samples estimated by Williamson-Hall analysis. FTIR and Raman investigations revealed a structural change as [VO₅] polyhedra converts into [VO₄] polyhedra on the doping of Al₂O₃ into V₂O₅. The optical band gap was found in a wide semiconductor range as confirmed by UV–visible spectroscopy analysis. The thermal and conductivity behavior of the prepared samples were studied using thermal gravimetric analysis (TGA) and impedance analyzer, respectively. All the prepared ceramics exhibit good DC conductivity (0.22–0.36 Sm^-1) at 400 ?C. These materials can be considered for intermediate temperature solid oxide fuel cell (IT-SOFC)/battery applications due to their good conductivity and good thermal stability.