Noncentrosymmetric Tetrel Pnictides RuSi4P4 and IrSi3P3: Nonlinear Optical Materials with Outstanding Laser Damage Threshold

Noncentrosymmetric (NCS) tetrel pnictides have recently generated interest as nonlinear optical (NLO) materials due to their second harmonic generation (SHG) activity and large laser damage threshold (LDT). Herein nonmetal-rich silicon phosphides RuSi₄P₄ and IrSi₃P₃ are synthesized and characterized. Their crystal structures are reinvestigated using single crystal X-ray diffraction and ²⁹Si and ³¹P magic angle spinning NMR. In agreement with previous report RuSi₄P₄ crystallizes in NCS space group P1, while IrSi₃P₃ is found to crystallize in NCS space group Cm, in contrast with the previously reported space group C2. A combination of DFT calculations and diffuse reflectance measurements reveals RuSi₄P₄ and IrSi₃P₃ to be wide bandgap (E_g) semiconductors, E_g = 1.9 and 1.8 eV, respectively. RuSi₄P₄ and IrSi₃P₃ outperform the current state-of-the-art infrared SHG material, AgGaS₂, both in SHG activity and laser inducer damage threshold. Due to the combination of high thermal stabilities (up to 1373 K), wide bandgaps (≈2 eV), NCS crystal structures, strong SHG responses, and large LDT values, RuSi₄P₄ and IrSi₃P₃ are promising candidates for longer wavelength NLO materials.     

Electrodeposited CuMnS and CoMnS electrodes for high-performance asymmetric supercapacitor devices

The transition metal sulfides have gained extensive interest in energy storage devices owing to their unique features. However, the research-based on cobalt, copper and manganese sulfide composites is limited while they are considered as promising contenders for supercapacitor electrodes. The simplest and facile one-step electrodeposition technique was adopted for the direct growth of CuMnS and CoMnS on a Ni-substrate. The electrochemical properties of CuMnS and CoMnS electrodes were investigated and maximum specific capacitances of 1691 and 2290 F/g, respectively, were obtained at 10 A/g current density. Further, these electrodes are investigated with activated carbon (AC) electrode to fabricate asymmetric supercapacitor devices where CoMnS//AC exhibited superior energy density values than CuMnS//AC device. However, both the devices show a relatively uniform capacitance retention rate (~94%) after 2500 charging-discharging cycles. Furthermore, the role of capacitive- and diffusive-controlled contributions in the charge storage phenomenon of supercapacitor devices are explicitly scrutinized by employing Dunn's model. Co-electrodeposition of transition metal sulfides has great potential as electrode material for highly effective supercapacitor devices.     

Impact of applied cell voltage on the performance of a microbial electrolysis cell fully catalysed by microorganisms

The effect of the operating voltage on the performance of a microbial electrolysis cell (MEC) equipped with both a bioanode and a biocathode for hydrogen production is reported. Chronoamperometry tests ranged between 0.3 and 2.0 V were carried out after both bioelectrodes were developed. A maximum current density up to 1.6 A m⁻² was recorded at 1.0 V with hydrogen production rate of nearly 6.0 ± 1.5 L m⁻² cathode day⁻¹. Trace amounts of methane, acetone and formate were detected in cathode's headspace and catholyte which followed the same trend as hydrogen production rate. Meanwhile substrate consumption in anolyte also followed the trend of hydrogen production and current density changes. The bioanode could utilise up to 95% of acetate in the tested voltage ranges, however, at a cell voltage of 2.0 V the bioanode's activity stopped due to oxygen evolution from water hydrolysis. Cyclic voltammograms revealed that the bioanode activity was vital to maintain the functionality of the whole system. The biocathode relied on the bioanode to maintain its potential during the hydrogen evolution. The overall energy efficiency recovered from both bioanode and external power in terms of hydrogen production at the cathode was determined as 29.4 ± 9.0%, within which substrate oxidation contributed up to nearly 1/3 of the total energy marking the importance of bioanode recovering energy from wastewater to reduce the external power supply.     

全地域机动车驾驶室声学特性分析

以某全地域机动车驾驶室为研究对象,建立驾驶室的有限元模型,验证了有限元模型的有效性。以此有限元模型为基础构建驾驶室谐响应模型,进行谐响应分析,发现驾驶室后壁板的振动是引起驾驶室内部噪声的主要原因。研究驾驶室内部噪声特性,分别进行了声学空腔模态分析和声固耦合模态分析,发现声固耦合系统声压分布比较均匀,大部分呈现局部模态,主要原因可能是驾驶室后壁板的振动。通过驾驶员耳旁声压分析发现增加驾驶室后壁板的厚度,可以在一定程度内降低驾驶室内部噪声对驾驶员的影响,为同类驾驶室通过依靠结构改进来改善声场环境提供了案例依据。     

Role of Nd-Ni on structural,spectral and dielectric properties of strontium-barium based nano-sized X-type ferrites

The influence of neodymium and nickel substitution on structural and dielectric parameters was investigated in strontium-barium X-type hexagonal ferrites having composition SrBaCu_2?xNi_xNd_yFe_28?yO₄₆ (x = 0, 0.2, 0.4, 0.6, 0.8, 1 and y = 0, 0.02, 0.04, 0.06, 0.08, 0.1). Sol-gel method was employed for synthesizing these hexagonal ferrites. The XRD plots of all studied materials which were annealed at 1250 °C show single phase characteristics. Lattice parameter ‘c’ increased as a consequence of larger radius of rare earth ion (Nd³⁺) as compared to (Fe³⁺), while lattice parameter ‘a’ showed very small variation. The cell volume was obtained in the range 2508.32–2523.75 (ų). The inclusion of Nd-Ni also affected X-ray density, bulk density and porosity. The FTIR spectroscopy indicated the particular absorption peaks of hexagonal ferrites and it was performed in the range of 500–700 cm^?1. On account of Nd-Ni doping, the dielectric constant, dielectric loss and AC-conductivity showed decreasing trend. The occupancy of Nd³⁺ ions at octahedral site impedes the valence alternation of Fe³⁺; therefore there was decrease in dielectric permittivity. Ac conductivity has been decreased from 9.14 to 6.49 (Ω cm)^?1 at frequency of 2.7 GHz. The Cole-Cole plots of synthesized materials noticeably revealed grain boundary contribution. The appearance of single semi-circle in impedance Cole-Cole graphs confirms the exceptional role of grain boundaries in the conduction process. The considerably lower dielectric parameters of investigated nano X-type ferrites propose their feasibility for high-frequency applications (phase shifters, dielectric resonators, stealth technology etc).     

基于特征贡献率的机械故障分类方法

为了使7075铝合金薄壁件表面喷丸加工应力得到松弛和均化，运用ANSYS建立平台式振动时效有限元模型，通过振动模态和谐响应分析，获得最佳激振频率和试样装夹位置。在此基础上，将薄壁框架件置于平台上进行振动时效处理，以验证仿真分析结果，评价其对试样表面应力作用效果。结果表明：在亚共振频率为112 Hz时，试样在平台零振幅和最大弯曲位置处分别对称布置，时效后表面均形成应力松弛，松弛率分别为29.5%和33.3%，不均匀波动分别为20.3%和20.7%，而沿振动方向松弛程度不均匀，说明激振力造成了材料表面组织屈服，且屈服程度与应力强度有关。提出再时效-位置交叠方法，使应力松弛不均匀度分别下降到9.9%和15.9%，应力均化得到改善，该研究工作为薄壁类零件表面应力均匀化提供了参考。     

奶酪中内酯类物质风味贡献及其生物合成调控进展

奶酪中的内酯类物质主要包括γ-内酯和δ-内酯两大类，它们是奶酪关键气味物质之一，对于奶酪整体风味的形成有着重要作用。本文在查阅相关文献的基础上，对常见奶酪中内酯类物质的组成、香气贡献以及主要内酯物质的浓度范围进行了系统的综述；介绍了GC外标法、峰面积归一化法、超高效液相色谱-串联质谱法、GC-MS内标法、选择离子流动管质谱法、稳定同位素稀释分析法六种内酯类物质主要的定量测定方法；总结了奶酪中内酯类物质的形成机理以及研究者们提出的生物合成调控策略；并对当前研究中存在的问题以及未来研究方向做了归纳与展望。为全面认知奶酪中内酯类香气化合物及其形成和调控，开发更适合国人口味原制奶酪，实现我国奶酪产业转型和升级提供理论参考。     

Generic mathematical programming formulation and solution for computer-aided molecular design

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model.     

Annular‐ring slot antenna designs with circular polarization radiation

The design of a microstrip‐fed annular‐ring slot antenna (ARSA) with circular polarization (CP) radiation is initially studied. To obtain CP radiation with broad 3‐dB axial ratio (AR) bandwidth that can cover the WiMAX 2.3 GHz (2305–2320 MHz, 2345–2360 MHz) and WLAN 2.4 GHz (2400–2480 MHz) bands, a novel technique of extending an inverted L‐shaped slot from the bottom section of the annular‐ring is proposed. To suppress the harmonic modes induced by the CP ARSA, the technique of integrating a defected ground structure into the annular‐ring slot is further introduced. From the measured results, 10‐dB impedance bandwidth and 3‐dB AR bandwidth of 44.86 and 9.68% were achieved by the proposed harmonic suppressed CP ARSA. Furthermore, average gain and radiation efficiency of ～4.7 dBic and 71%, respectively, were also exhibited across the bands of interest. © 2014 Wiley Periodicals, Inc. Int J RF and Microwave CAE 25:337–345, 2015.