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排序方式: 共有10000条查询结果,搜索用时 93 毫秒
1.
《International Journal of Hydrogen Energy》2022,47(64):27608-27616
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. 相似文献
2.
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 (Tg) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (nd) 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 nd (1.7 or more) and low Tg (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. 相似文献
3.
《International Journal of Hydrogen Energy》2022,47(63):27199-27222
In this present work, the effect of lanthanum oxides (La2O3) on the thermal cycle behavior of TBC coatings and mechanical properties such as adhesion strength and microhardness of 8% Yttria Stabilized Zirconia (8YSZ) TBCs were investigated. CoNiCrAlY and aluminium alloy (Al–13%Si) were used as bond coat and substrate materials. 8YSZ and different wt % of La2O3 (10, 20, and 30%) top coatings were applied using the atmospheric plasma spray (APS) method. The thermal cycling test for TBC coated samples were conducted at 800 °C in the electric furnace. The XRD pattern shows that the La2O3 doped 8YSZ material transformed to cubic pyrochloric structured La2Zr2O7 during thermal cycling. Further, the Taguchi-based grey relation analysis (GRA) method was applied to optimize the TBC coating parameters to achieve better mechanical properties such as adhesion strength and microhardness. And the optimized La2O3/8YSZ TBC coating was coated on CRDI engine combustion chamber components. The engine was tested with microalgae biodiesel and hydrogen, and the results were promising for the TBC-coated engine. The engine performance increased while using La2O3/8YSZ coated components, and the emissions from engine exhaust gas such as CO, HC, and smoke reduced considerably. It was found that there was no separation crack and spallation of the coating layer in the microstructure. Ultimately, the microstructural analysis of the optimized TBC coated piston sample after 50 h of running in the diesel engine confirmed that the developed coating had a superior thermal insulation effect and longer life. 相似文献
4.
《Ceramics International》2022,48(3):3368-3373
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. 相似文献
5.
《Advanced Powder Technology》2022,33(8):103685
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. 相似文献
6.
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. 相似文献
7.
A. Kathalingam S. Valanarasu Tansir Ahamad Saad M. Alshehri Hyun-Seok Kim 《Ceramics International》2021,47(6):7608-7616
Herein, we report the photosensing property of CdS thin films. CdS thin films were coated onto glass substrates via a spray pyrolysis method using different spray pressures. Prepared films were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), and optical and photoluminescence spectroscopy. XRD analysis demonstrated the growth of crystalline CdS films with crystallite sizes varying from 26 to 29 nm depending on the pressure. The SEM and EDAX analyses revealed nearly-stoichiometric CdS films with smooth surfaces and slight variation in grain morphology due to pressure changes. Optical measurements showed a direct bandgap varying from 2.37 eV to 2.42 eV due to pressure changes. A photodetector was also fabricated using the grown CdS films; the fabricated photodetector exhibited good performance depending on the spray pressure. A spray pressure of 1.5 GPa resulted in high photoresponsivity and external quantum efficiency. 相似文献
8.
《International Journal of Hydrogen Energy》2022,47(18):10409-10419
The utilization of renewable gaseous fuels in the diesel engine has gained significant interest in recent years due to its clean-burning nature and higher availability. In this study, hydrogen-rich reformed biogas was used as a gaseous fuel in a common rail diesel engine with diesel as pilot fuel. The hydrogen-rich reformed gas was synthesized through dry-oxidative reforming. The experimentations were performed in the load range from 6 to 24 N m with two different flow rates of gaseous fuel (0.5 and 1.5 kg/h) at a constant speed of 1800 RPM. The effects on engine performance parameters (brake thermal efficiency, brake specific energy consumption, and brake specific diesel consumption), combustion parameters (rate of pressure rise and maximum heat release rate) and emission parameters (Unburnt hydrocarbons, nitrogen oxides, carbon monoxide, and carbon dioxide) were assessed. The induction of gaseous fuel led to an increase in brake thermal efficiency by 10.5%, reduction in brake specific energy consumption by 13.6%, and a reduction of 26.4% in brake specific diesel consumption with a flow rate of 0.5 kg/h when compared to diesel-only mode at 24 N m load. The HC, NOX and CO2 emissions were reduced by 18.2%, 7.4% and 1.4% with a flow rate of 0.5 kg/h when compared to diesel-only mode at 24 N m load due to lower availability of carbon content in the combustible mixture. The utilization of renewable fuel like hydrogen-rich reformed biogas has great potential for overcoming the issue related to both biogas and hydrogen in diesel engines. Moreover, the higher diesel substitution also demonstrates the potential for cost-saving and fossil fuel conservation. 相似文献
9.
为解决定距螺旋桨与船用主机在船舶运行工况的机桨匹配问题,结合船舶系泊和航行试验的相关标准,分析和归纳船舶运行数据,将实船测试与船机桨匹配理论计算相结合,得出运输船和拖轮在常用工况及特殊工况下定距螺旋桨对主机外特性的定量要求,为配套不同细分市场时船用主机的优化和开发提供参考依据。 相似文献
10.
Surface wave breaking is a challenging two-phase flow process which plays an important role in numerous physical processes. A highly-turbulent unsteady breaking surge was investigated experimentally in a large facility, and substantial aeration occurred in the roller. The application of three optical flow techniques (Lucas-Kanade, Horn-Schunck and Farnback) to the air-water region was tested. The results indicated that the Farnback technique provided most accurate results, although some misleading results could be obtained near the air-water boundaries of the roller. The bore generation by a rapid gate closure showed a highly-unsteady complicated velocity field, with substantial free-surface deformations, wave breaking and formation of large coherent structures before the surge detached from the gate. Further upstream, the surge propagated as a hydraulic jump in translation and the data showed a marked shear region with a recirculation zone above, showing air-water flow features comparable to stationary hydraulic jumps. The upper and lower bounds of air-water flow region yielded data implying an air-to-water velocity ratio about 4–5 for a Froude number Fr1 = 2.1. 相似文献