A new perspective of co-doping and Nd segregation effect on proton stability and transportation in Y and Nd co-doped BaCeO3

Bulk and surface properties of proton stability and transportation in Y and Nd co-doped BaCeO₃ (BCYN), especially the effect of Nd segregation, were investigated by first-principles calculations. Since the structure of doped BaCeO₃ at the operating temperature of proton-conducting has been unclear for a long time, we have summarized the latest experimental results and calculated the structure of the asymmetric BCYN for the first time. The results show that compared with Y, Nd doping promotes oxygen vacancy formation, however reduces proton stability. Our calculation can also provide a possible explanation for the formation of space charge layer at the grain boundary of doped BaCeO₃ in experiment. Unlike the stable Y in BCYN, Nd is calculated to be easily segregated, which can facilitate both proton hydration and proton transportation near the surface. Moreover, Nd segregation at the grain boundary is predicted to be beneficial for proton transportation between grains.     

Theoretical investigation of solvent effects on the selective hydrogenation of furfural over Pt(111)

It was well known that solvent effect plays a very important role in the catalytic reaction. There are many theoretical studies on the solvent effect in homogeneous catalysis while there are few theoretical studies on the solvent effect in the heterogeneous catalytic reaction and there has been no work to investigate the solvent effect on furfural transformation in heterogeneous catalysis. In the present work, both the density functional calculations and the microkinetic analysis were performed to study the selective hydrogenation of furfural over Pt(111) in the presence of methanol as well as toluene and compared with that in the gas condition. The present results indicated that the methanol can enhance the adsorption strength of furfural and other oxygen-containing reaction species due to its relatively strong polarity properties and this can be a main reason for solvent-induced high activity and selectivity. Another reason is that reaction paths study showed that the presence of methanol solvent makes the dehydrogenation of furfural less thermochemical due to the fact that furfural is more stabilized than that of dehydrogenation species, and methanol also has an inhibition effect on the dehydrogenation of furfural in the kinetic aspect, and further energetic span theory proves highest activity and selectivity for hydrogenation in methanol solvent of vapor, methanol and toluene. Moreover, microkinetic model simulation demonstrated that the activity and selectivity of hydrogenation in methanol is both higher than that in vapor and toluene. The much higher activity in methanol is due to the stabilized adsorbed reactants in the surface, which leads to a higher surface coverage of furfural. It might be proposed based on the present work that a solvent with relatively strong polarity may be favorable for the high selective hydrogenation of furfural.     

高光谱激光雷达谱位合一的角度效应分析

高光谱激光雷达以其谱位合一的技术优势为实现超三维精准遥感观测提供了可行途径,因此成为当前激光雷达与高光谱遥感领域共同大力推进的前沿发展方向。目前已有多型原型系统研发出来并得到了原理性验证,然而针对其数据处理核心环节问题的基础技术仍较为欠缺。典型问题之一是不同波段回波信号受激光入射角度的影响,该角度效应限制了高光谱激光雷达实现高性能遥感。以芬兰空间信息研究所高光谱激光雷达原型系统扫描桦树树干为例探讨了该角度效应,发现了不同激光波段对不同入射角度的回波强度响应模式,推导出了角度效应的基本规律及其精细尺度的统计规律,为后续该方向的系统研发、数据处理及信息提取等提供了可借鉴的底层机理与技术基础。     

Characterization of anisotropic gas permeability and thermomechanical properties of highly textured porous alumina

Porous alumina with a highly textured microstructure was fabricated by pulse electric current sintering (PECS) using alumina platelets. Highly oriented porous alumina with a porosity of 3%–50% was obtained by a pressure-controlled method of PECS. The properties of the highly textured porous alumina were measured in two directions. The nitrogen gas permeance and thermal conductivity at room temperature were higher in the direction along the platelet length due to the higher continuity of pores and the connectivity of alumina platelets, respectively. The anisotropy of the thermal conductivity at room temperature was investigated and explained by the effect of grain size of platelets as well as morphology and orientation of pores. The bending strength was higher with the loading direction along the platelet thickness. The thermal shock strength was clearly different in the two directions. The difference in the thermal shock strength was investigated by the measurement of properties and thermal stress analysis.     

Inductive effect in Mn-doped ZnO nanoribon arrays grown on Ni foam: A promising key for boosted capacitive and high specific energy supercapacitors

Transition metal oxides have been explored in supercapacitor applications owing to their safety, low cost, high specific capacitance and high electrochemical activity. Among all transition metal oxides, zinc oxide based materials show remarkable response for designing the supercapacitors with high electrochemical activity. Here in, Mn doped ZnO (Zn_1-xMn_xO₃ with x = 0, 0.25, 0.50, 0.75 and 1) was synthesized by a facile hydrothermal method. Doping of Mn into the ZnO increased the surface area and decease the charge transfer resistance for the Zn_0.5Mn_0.5O₃. All the synthesized materials were characterized by x-ray diffraction (XRD), scanning electron microscopy SEM), BET, electrochemical tests and other various analytical techniques to confirm the structural, morphological, textural and suprcapacitive properties. The synthesized material Zn_0.5Mn_0.5O₃ having the porous nanoribons structure with BET surface area (2490 cm²/g). The electrochemical studies showed significantly enhanced response toward pseudocapacitive nature. The synthesized material exhibited the excellent specific capacitance (515F/g), specific energy (28.61 Wh/kg) and specific power (1000 W/kg) at current density of 2 mA/g. Such impressive and superior properties make the MnZnO₃ material as promising candidate for new generation supercapacitor applications.     

Contribution of metal vapor mass at periphery part of pulsed arc to electromagnetic force in weld pool

The arc welding has been used in various welding methods because it is inexpensive and high in strength after welding. However, it is a problem that accidents such as collapse of the bridge occur because of the welding defects. The welding of low cost and high productivity is required without the welding defects. The pulsed TIG welding is inexpensive and capable of high‐quality welding. The electromagnetic force contributing to penetration changes because the transient response of arc temperature and iron vapor generated from anode occurs. However, the analysis of pulsed TIG welding with metal vapor has been elucidated only metal vapor concentration near anode with transient phenomenon and heat flux. Thus, the theoretical elucidation of penetration depth with control factor has not been researched. In this paper, the contribution of metal vapor mass at the periphery part of pulsed arc to the electromagnetic force in the weld pool is elucidated. As a result, the iron vapor mass at periphery part decreased with increasing the frequency. The iron vapor was stagnated at axial center within one cycle. The electromagnetic force to the penetration depth direction in weld pool increased at axial center. Therefore, the metal vapor mass at periphery part plays an important role for the electromagnetic force increment at axial center.     

Cyclic thermal shock resistance of h-BN composite ceramics with La2O3–Al2O3–SiO2 addition

The effects of La₂O₃–Al₂O₃–SiO₂ addition on the thermal conductivity, coefficient of thermal expansion (CTE), Young's modulus and cyclic thermal shock resistance of hot-pressed h-BN composite ceramics were investigated. The samples were heated to 1000 °C and then quenched to room temperature with 1–50 cycles, and the residual flexural strength was used to evaluate cyclic thermal shock resistance. h-BN composite ceramics containing 10 vol% La₂O₃–Al₂O₃ and 20 vol% SiO₂ addition exhibited the highest flexural strength, thermal conductivity and relatively low CTE, which were beneficial to the excellent thermal shock resistance. In addition, the viscous amorphous phase of ternary La₂O₃–Al₂O₃–SiO₂ system could accommodate and relax thermal stress contributing to the high thermal shock resistance. Therefore, the residual flexural strength still maintained the value of 234.3 MPa (86.9% of initial strength) after 50 cycles of thermal shock.     

[Zr0.73(Cu0.59Ni0.41)0.27]87Al13合金过冷液相区热塑性成形研究

为探究[Zr_(0.73)(Cu_(0.59)Ni_(0.41))_(0.27)]_(87)Al_(13)非晶合金的热塑性成形性能以及绘制其对应的热加工图谱,用Gleeble3500型热模拟压缩实验机对该非晶合金进行不同参数下的热模拟压缩实验。结果表明,合金在压缩过程中变形行为由牛顿流变演变为非牛顿流变;同时,过高或过低的热加工温度均能导致合金晶化;进一步对数据分析得到该合金在不同热塑性成形参数下的功率耗散图与流变失稳图,并绘制出相应的热加工谱图,谱图分析结果表明,该合金在温度为420与430℃、应变速率为10~(-3) s~(-1)时具有较高功率耗散系数且没有失稳区域,因此,合金可选的热塑性加工参数为温度420～430℃,应变速率10~(-3) s~(-1)。     

Role of additives in fabrication of soy-based rigid polyurethane foam for structural and thermal insulation applications

Environmental concerns continue to pose the challenge to replace petroleum-based products with renewable ones completely or at least partially while maintaining comparable properties. Herein, rigid polyurethane (PU) foams were prepared using soy-based polyol for structural and thermal insulation applications. Cell size, density, thermal resistivity, and compression force deflection (CFD) values were evaluated and compared with that of petroleum-based PU foam Baydur 683. The roles of different additives, that is, catalyst, blowing agent, surfactants, and different functionalities of polyol on the properties of fabricated foam were also investigated. For this study, dibutyltin dilaurate was employed as catalyst and water as environment friendly blowing agent. Their competitive effect on density and cell size of the PU foams were evaluated. Five different silicone-based surfactants were employed to study the effect of surface tension on cell size of foam. It was also found that 5 g of surfactant per 100 g of polyol produced a foam with minimum surface tension and highest thermal resistivity (R value: 26.11 m²·K/W). However, CFD values were compromised for higher surfactant loading. Additionally, blending of 5 g of higher functionality soy-based polyol improved the CFD values to 328.19 kPa, which was comparable to that of petroleum-based foam Baydur 683.