Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Photophysical investigation of the formation of defect levels in P doped ZnO thin films

Zinc oxide (ZnO) offers a major disadvantage of asymmetry doping in terms of reliability, stability, and reproducibility of p-type doping, which is the main hindrance in realization of optoelectronic devices. The problem is even more complicated due to formation of various native defects in unintentionally doped n-type ZnO. The realization of p-type conductivity in doped ZnO requires an in-depth understanding of the formation of an effective shallow acceptor, as well as donor-acceptor compensation. Photophysical properties such as photoconductivity along with photoluminescence (PL) studies have unprecedentedly and effectively been utilized in this work to monitor the evolution of various in-gap defects. Phosphorus (P) doped ZnO thin films have been grown by RF magnetron sputtering under various Ar to O₂ gas ratios to investigate the effect of O₂ on the donor-acceptor compensation by comprehensive photoconductivity measurements supported by the PL studies. Initial elemental analyses indicate presence of abundant zinc vacancies (V_Zn) in O-rich ambience. The results predict that P sits in the zinc (Zn) site rather than the oxygen (O) site causing the formation of P_Zn–2V_Zn acceptor-like defects, which compensates the donor defects in P doped ZnO films. Photocurrent spectra uniquely reveal presence of more oxygen vacancies (V_O) defects states in lower O₂ flow, which gets compensated with an increase in the O₂ flow. Successive photocurrent transients indicate probable presence of more V_O in the films grown with lower O₂ flow and more V_Zn in higher O₂ flow. Overall the photosensitivity measurements clearly present that O-rich ambience expedites the formation of acceptor defects which are compensated, thereby lowering the dark current and enhancing the ultraviolet photosensitivity.     

高性能碳基储能材料的设计、合成与应用

电化学储能器件的性能很大程度上决定于其电极材料。碳材料具有来源广泛、化学稳定性好、易于调控、环境友好等优点，被广泛应用于各类能量存储系统，但仍存在能量密度低、倍率性能差等问题。本文从碳材料孔结构调控、杂原子掺杂、与金属氧化物复合三个角度，综述了构建高性能碳基储能材料的设计合成策略，介绍了其在锂/钠离子二次电池、超级电容器等领域的研究进展，对几种方法策略的优缺点进行了总结，并对未来的研究方向进行了展望。本文对高性能碳基储能电极材料的设计开发具有积极意义。     

Warm-white light performance of Dy3+, Eu3+: NaLa(WO4)2 phosphors excited with a 450-nm LED

Dy³⁺, Eu³⁺: NaLa(WO₄)₂ phosphors are successfully synthesized through the solid-state reaction technique. The phase-structure and morphology are measured via X-ray diffraction and energy dispersive spectrometry. The concentrations of Dy³⁺, Eu³⁺, La³⁺, and W⁶⁺ are measured via ICP. The absorption and excited spectra are presented, which indicate that a blue band ranging from 430 to 480 nm is suitable for excitation. Using a commercial blue LED with a wavelength of 450 nm as the excitation light source, emission spectra for samples with varying dopant concentration ratios of Dy³⁺ to Eu³⁺ are obtained, which show good tunable yellow and red emission. For the purpose of investigating white LED performance, CIE spectra and a white light photo are also presented. The results reveal that varying the dopant concentration ratio of Dy³⁺ to Eu³⁺ plays a key role in the warm-white performance. With increasing concentration of Eu³⁺, the correlated color temperature decreases from 4069 to 3172 K, which indicates good warm-white performance.     

Vertical cyclic loading response of geosynthetic-encased stone column in soft clay

Dynamic responses of the geosynthetic-encased stone column (GESC) supported embankment under traffic loads have become a hot topic. This study investigates the responses of GESC improved ground under vertical cyclic loading. A series of laboratory tests in a designed model test tank have been carried out with different loading parameters (varied loading amplitudes and frequencies), different column dimensions (varied encasement lengths and column diameters). In the tests, the soil-column stress distribution, accumulated settlement of loading plate, excess pore water pressure in the surrounding soil and lateral bulging of the stone column are monitored. Experimental results indicate that the vertical stress on the stone column increases with the increment of encasement length, and decreases with the increment of column diameter, loading amplitude and loading frequency. The increasing stress on the surrounding soil leads to a greater accumulated settlement of the loading plate and excess pore water pressure, while the increasing stress on the column leads to larger lateral bulging of the column. Excess pore water pressure dissipates effectively through vertical and horizontal drainage channels provided by the stone column and the sand bed. The geosynthetic encasement prevents the clay from obstructing the drainage channel by filtration and guarantees the drainage effect.     

Application of higher order spectral features and support vector machines for bearing faults classification

Condition monitoring and fault diagnosis of rolling element bearings timely and accurately are very important to ensure the reliability of rotating machinery. This paper presents a novel pattern classification approach for bearings diagnostics, which combines the higher order spectra analysis features and support vector machine classifier. The use of non-linear features motivated by the higher order spectra has been reported to be a promising approach to analyze the non-linear and non-Gaussian characteristics of the mechanical vibration signals. The vibration bi-spectrum (third order spectrum) patterns are extracted as the feature vectors presenting different bearing faults. The extracted bi-spectrum features are subjected to principal component analysis for dimensionality reduction. These principal components were fed to support vector machine to distinguish four kinds of bearing faults covering different levels of severity for each fault type, which were measured in the experimental test bench running under different working conditions. In order to find the optimal parameters for the multi-class support vector machine model, a grid-search method in combination with 10-fold cross-validation has been used. Based on the correct classification of bearing patterns in the test set, in each fold the performance measures are computed. The average of these performance measures is computed to report the overall performance of the support vector machine classifier. In addition, in fault detection problems, the performance of a detection algorithm usually depends on the trade-off between robustness and sensitivity. The sensitivity and robustness of the proposed method are explored by running a series of experiments. A receiver operating characteristic (ROC) curve made the results more convincing. The results indicated that the proposed method can reliably identify different fault patterns of rolling element bearings based on vibration signals.     

非径向管板焊接接头的超声检测

对AP1000压水堆核电站安全壳贯穿件的非径向管板焊接接头结构特点进行了介绍,并分析其超声检测工艺的重点和难点。通过建立统一的缺陷定位坐标系并结合被检构件的几何特点进行综合分析,推导得出了h值(缺陷回波最高点距套管外壁的距离)的计算方法。为超声检测对这类焊接接头缺陷的准确识别和定位提供了行之有效的方法,为解决这类焊接接头的超声检测技术受限区提供了行之有效的措施。     

Fine-tuned,molecular-composite,organosilica membranes for highly efficient propylene/propane separation via suitable pore size

Fine-tuned, molecular-composite, organosilica membranes were fabricated via the co-condensation of organosilica precursors bis(triethoxysilyl)acetylene (BTESA) and bis(triethoxysilyl)benzene (BTESB). Fourier transform infrared and UV–vis spectra confirmed the co-condensation behaviors of BTESA and BTESB. The evolution of the network structure indicated that the incorporated BTESB decreased the membrane pore size, which was determined by a modified gas translation model according to the steric effect of the phenyl groups. The incorporation of BTESB to BTESA finely tuned the membrane structure and endowed the resultant composite membrane with improved separation properties. The BTESAB 9:1 membrane (molar ratio of BTESA/BTESB was 9:1) exhibited high C₃H₆ permeance at 4.5 × 10⁻⁸ mol m⁻² s⁻¹ Pa⁻¹ and a C₃H₆/C₃H₈ permeance ratio of 33 at 50°C. One of the most important developments of this study involved clearly defining the relationship between membrane pore size and C₃H₆/C₃H₈ separation performance for organosilica membranes in single and binary separation systems.     

饱和尾粉砂动孔隙水压力发展特性试验研究

采用动三轴仪对内蒙古某尾矿库尾粉砂进行了动强度试验,研究了围压、相对密实度及固结比对动荷载作用下尾粉砂中孔隙水压力发展特性的影响。研究结果表明,随着固结比、相对密实度、围压的增大,动荷载作用下饱和尾粉砂孔压增长曲线形状由陡峭转变为平缓。随着围压及固结比增大,试样动力破坏形式从以孔压值为主要表征指标的液化破坏,转化为以动剪应变为主要破坏形式的软化破坏。动荷载作用下发生液化破坏的饱和尾粉砂孔压增长过程分可为初始增长阶段、稳定增长阶段和快速增长至破坏阶段,孔压增长曲线表现为明显的反S型,本文采用双对数函数对该试验孔压增长曲线进行拟合,结果表明该模型可以较好地模拟尾粉砂在动荷载作用下的孔压发展规律。     

不同煤阶煤孔隙特征及其吸附能力响应

我国是煤炭资源大国，煤层气储量规模相当可观，但煤储层又具有低孔、低渗的不足，照搬国外或常规石油天然气的开采程序和方法已被证实是走不通的。应结合实际，根据不同地质条件、不同煤阶的开采程序，进行孔隙特征研究。煤孔隙特征、连通性和吸附能力对煤层气开采影响尤为重要，为研究煤孔隙结构特征随煤变质程度的变化关系及其吸附能力的响应特点，采取不同地区不同变质程度煤样，进行压汞测试和等温吸附实验。实验结果表明，煤孔隙度和平均孔径均随变质程度增加呈现降低—升高—降低的趋势；煤中孔隙连通性随煤变质程度增加逐渐变差；随煤变质程度增加，其最大吸附能力也呈现降低—升高—降低的总体趋势。