A case-deletion diagnostic for penalized calibration estimators and BLUP under linear mixed models in survey sampling

The penalized calibration technique in survey sampling combines usual calibration and soft calibration by introducing a penalty term. Certain relevant estimates in survey sampling can be considered as penalized calibration estimates obtained as particular cases from an optimization problem with a common basic structure. In this framework, a case deletion diagnostic is proposed for a class of penalized calibration estimators including both design-based and model-based estimators. The diagnostic compares finite population parameter estimates and can be calculated from quantities related to the full data set. The resulting diagnostic is a function of the residual and leverage, as other diagnostics in regression models, and of the calibration weight, a singular feature in survey sampling. Moreover, a particular case, which includes the basic unit level model for small area estimation, is considered. Both a real and an artificial example are included to illustrate the diagnostic proposed. The results obtained clearly show that the proposed diagnostic depends on the calibration and soft-calibration variables, on the penalization term, as well as on the parameter to estimate.     

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。     

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.     

Torsional statics of two-dimensionally functionally graded microtubes

A size-dependent governing equation is derived to investigate the torsional static behaviors of two-dimensionally functionally graded microtubes based on the modified couple stress theory. The shear modulus is assumed to vary along the tube’s length direction according to an exponential distribute function, and varies along the tube’s radius direction according to a power-law function. A generalized differential quadrature method is developed to determine the rotational angle and shear stresses. Some illustrative examples are given to investigate the effects of applied torques, the length scale parameter and various material compositions on the torsional angle and shear stresses.     

On the thermally-induced seizure in bearings: A review

This paper presents a state-of-the-art survey of papers reported on the nature of a troublesome failure mode in bearings known as seizure. This mode of failure is thermally-induced and it occurs in both journal and rolling element bearings. To gain insight, particular attention is given to reported experimental observation, various mechanisms involved, and available prediction methodologies.     

Lead-free sodium niobate nanowires with strong piezo-catalysis for dye wastewater degradation

In this work, the hydrothermally-synthesized sodium niobate nanowires were used to decompose Rhodamine B dye solution through the piezo-catalytic effect. With the sodium niobate catalyst, a high piezo-catalytic degradation ratio of ～80% was achieved under the excitation of vibration for the Rhodamine B dye solution (～5?mg/l). These active species in the catalytic process, hydroxyl radicals and superoxide radicals with the strong oxidation ability, were also observed, which confirmed the key role of piezoelectric effect for piezo-catalysis. The piezo-catalysis of sodium niobate nanowires provides a high-efficiency and reusable tool in application in depredating the dye wastewater.     

Synergistic flame retardant effects of activated carbon and molybdenum oxide in poly(vinyl chloride)

The synergistic effects of activated carbon (AC) and molybdenum oxide (MoO₃) in improving the flame retardancy of poly(vinyl chloride) (PVC) were investigated. The effects of AC, MoO₃ and their mixture with a mass ratio of 1:1 on the flame retardancy and smoke suppression properties of PVC were studied using the limiting oxygen index and cone calorimeter tests. It was found that the flame retardancy of the relatively cheaper AC was slightly weaker than that of MoO₃. In addition, the incorporation of AC and MoO₃ greatly reduced the total heat release and improved smoke suppressant property of PVC composites. When the total content of AC and MoO₃ was 10 phr, PVC/AC/MoO₃ had the lowest peak heat release rate and peak smoke production rate values of 173.80 kW m^?2 and 0.1472 m² s^?1, which represented reductions of 47.3 and 59.9%, respectively, compared with those of PVC. Furthermore, thermogravimetric analysis and gel content tests were used to analyze the flame retardant mechanism of AC and MoO₃, with results showing that AC could promote early crosslinking in PVC. Char residue left after heating at 500 °C was analyzed using scanning electron microscopy and Raman spectroscopy, and the results showed that MoO₃ produced the most compact char, with the smallest and most organized carbonaceous microstructures. © 2017 Society of Chemical Industry