A periodic DFT study on adsorption of small molecules(CH_4,CO,H_2O,H_2S,NH_3)on the WO_3(001) surface-supported Au

Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.     

烧结烟气脱硫脱硝用活性炭混合钢渣复合材料的光谱学分析

钢渣是冶金工业中产生的主要固体废弃物,其产量约为每年粗钢产量的15%~20%。由于技术的局限,导致我国钢渣利用率较低,仅为年钢渣产量的10%,同时加之管理制度的不健全,导致钢渣大量露天堆放,对土地资源、地下水源,以及空气质量形成严重影响。固体废弃物再利用是资源可持续发展的重要途径之一,钢渣的主要化学成分为CaO, SiO2, Al2O3, MgO, Fe2O3, MnO, f-CaO等。面对上述问题,利用冶金固体废弃物与活性炭开发一种价格低廉且性能优越的活性炭混合钢渣复合材料,既是冶金固体废弃物的高附加值利用与资源可持续发展的重要途径之一,也是大幅降低改性活性炭生产成本与提高经济效益的重要途径之一。该研究创新性以活性炭与钢渣为研究对象,利用钢渣中含有的金属氧化物对活性炭进行改性处理制备用于烧结烟气脱硫脱硝的活性炭混合钢渣复合材料,通过搭建实验反应装置对活性炭混合钢渣复合材料的脱硫脱硝性能进行测试。利用X射线荧光光谱仪(XRF)对钢渣的化学成分进行测试与分析,比表面积及孔径测定仪(BET)对活性炭混合钢渣复合材料的孔结构进行测试与分析,傅里叶变换红外光谱仪(FTIR)对钢渣的结构组成进行测试与分析,扫描电子显微镜(SEM)对活性炭混合钢渣复合材料的微观结构进行测试与分析,以揭示活性炭与钢渣制备活性炭混合钢渣复合材料的机理,以及活性炭混合钢渣复合材料对烧结烟气脱硫脱硝的机理。结果表明:当钢渣为电炉热泼渣、钢渣与活性炭质量比为2∶4、钢渣与活性炭细度为400目时,活性炭混合钢渣复合材料具有良好的脱硫脱硝性能与合理的经济性,即脱硫效率为100%、脱硝效率为58%。活性炭混合钢渣复合材料具有的多孔结构对SO2和NO进行有作用,钢渣中Fe2O3与MnO2促使活性炭官能团进行催化还原反应提高脱硫脱硝性能,其中吸附作用是主导与前提,催化还原反应是辅助与协同。以期为高附加值的钢渣利用提供新途径,实现钢铁企业以废治废、以废增效的目的。     

可溶性离子对煅烧烟气脱硫石膏水化的影响

本文主要研究了不同水溶性离子对煅烧烟气脱硫石膏水化过程,也就是对大块煅烧石膏向石膏转化的相变过程的影响. 研究表明,在煅烧石膏向石膏转化的相变过程中,所有的阳离子都能加速煅烧石膏的水化作用,其中Ca²⁺的加速效应最弱. 对于最终沉淀得到的晶体,除了钠离子外,晶体尺寸不受不同种类盐的影响. 而在钠离子中,可以观察到长度大于130 μm的巨型结晶. 本研究阐明了不同离子对煅烧石膏水化的影响,为原始的烟气脱硫石膏在实际应用前的预处理提供了充分的指导.     

Cavitation onset caused by a dynamic pressure wave in liquid pipelines

When liquids flow in the pipelines, the onset of cavitation can be characterized by a variant of the Euler number known as the cavitation number (CN), which is based on the velocity and denoted by C in this paper. Conventionally, cavitation is considered to be induced when C ~ 1. However, experimental observations and several pipe bursts indicate that the CN may incorrectly predict the onset of cavitation. For example, when leakage occurs in the pipeline or a valve in the pipeline is opened, the resultant pressure loss generates a dynamic pressure wave with a small amplitude, which may lead to bubble formation, even though C ~ 1 is not satisfied. Hence, this paper proposes another CN based on the amplitude of the generated dynamic pressure wave, rather than the velocity, for ascertaining the onset of cavitation. The validity of the proposed CN was verified through experiments and a case study. The results indicated that the proposed CN can be effectively used for cavitation prediction induced by pressure fluctuations and for investigating phenomena such as pressure fluctuation, leakage, and corrosion in liquid pipelines, tanks, and pressure vessels, as well as the safety design of liquefied natural gas tanks and tankers.     

Gate-induced drain leakage (GIDL) in MFMIS and MFIS negative capacitance FinFETs

The gate induced drain leakage (GIDL) effect in negative capacitance (NC) FinFET is investigated. A Landau–Ginzburg–Devonshire equation (which considers the polarization gradient in ferroelectric material) is used to estimate the characteristics of the NC FinFET. Specifically, metal-ferroelectric-metal-insulator-semiconductor (MFMIS) and metal-ferroelectric-insulator-semiconductor (MFIS) NC FinFETs are compared, in order to figure out the effect of the internal metal layer on the GIDL effect. To analyze the impact of the polarization gradient on the GIDL effect in NC FinFET, a polarization gradient coefficient is varied. For MFMIS, the polarization gradient doesn't significantly affect the device performance. The subthreshold swing improves but the GIDL effect deteriorates because of the “uniform” NC effect in channel region. For MFIS, the device performance is explicitly affected by the polarization gradient. Smaller polarization gradients result in non-uniform NC effect in channel region, resulting in severe GIDL effects. On the other hand, higher polarization gradients alleviate GIDL effects.     

Visual Recognition of Traffic Signs in Natural Scenes Based on Improved RetinaNet

Aiming at recognizing small proportion, blurred and complex traffic sign in natural scenes, a traffic sign detection method based on RetinaNet-NeXt is proposed. First, to ensure the quality of dataset, the data were cleaned and enhanced to denoise. Secondly, a novel backbone network ResNeXt was employed to improve the detection accuracy and effection of RetinaNet. Finally, transfer learning and group normalization were adopted to accelerate our network training. Experimental results show that the precision, recall and mAP of our method, compared with the original RetinaNet, are improved by 9.08%, 9.09% and 7.32%, respectively. Our method can be effectively applied to traffic sign detection.     

Interaction Mechanism and Loss Analysis of Mixing between Film Cooling Jet and Passage Vortex

The interaction between the film-cooling jet and vortex structures in the turbine passage plays an important role in the endwall cooling design. In this study, a simplified topology of a blunt body with a half-cylinder is introduced to simulate the formation of the leading-edge horseshoe vortex, where similarity compared with that in the turbine cascade is satisfied. The shaped cooling hole is located in the passage. With this specially designed model, the interaction mechanism between the cooling jet and the passage vortex can therefore be separated from the crossflow and the pressure gradient, which also affect the cooling jet. The loss-analysis method based on the entropy generation rate is introduced, which locates where losses of the cooling capacity occur and reveals the underlying mechanism during the mixing process. Results show that the cooling performance is sensitive to the hole location. The injection/passage vortex interaction can help enhance the coolant lateral coverage, thus improving the cooling performance when the hole is located at the downwash region. The coolant is able to conserve its structure in that, during the interaction process, the kidney vortex with the positive rotating direction can survive with the negative-rotating passage vortex, and the mixture is suppressed. However, the larger-scale passage vortex eats the negative leg of the kidney vortices when the cooling hole is at the upwash region. As a result, the coolant is fully entrained into the main flow. Changes in the blowing ratio alter the overall cooling effectiveness but have a negligible effect on the interaction mechanism. The optimum blowing ratio increases when the hole is located at the downwash region.     

Unusual Surface Latent Heat Flux Variations and Their Critical Dynamics Revealed before Strong Earthquakes

We focus on the possible thermal channel of the well-known Lithosphere–Atmosphere–Ionosphere Coupling (LAIC) mechanism to identify the behavior of thermal anomalies during and prior to strong seismic events. For this, we investigate the variation of Surface Latent Heat Flux (SLHF) as resulting from satellite observables. We demonstrate a spatio-temporal variation in the SLHF before and after a set of strong seismic events occurred in Kathmandu, Nepal, and Kumamoto, Japan, having magnitudes of 7.8, 7.3, and 7.0, respectively. Before the studied earthquake cases, significant enhancements in the SLHF were identified near the epicenters. Additionally, in order to check whether critical dynamics, as the signature of a complex phenomenon such as earthquake preparation, are reflected in the SLHF data, we performed a criticality analysis using the natural time analysis method. The approach to criticality was detected within one week before each mainshock.     

浸没边界-简化热格子Boltzmann方法研究及其应用

针对流固耦合传热问题,本文提出了一种基于浸没边界-简化热格子玻尔兹曼方法(immersed boundary method-simplified thermal lattice Boltzmann method,IB-STLBM)的耦合模型.不同于传统的格子玻尔兹曼方法使用分布函数演化流场和温度场,简化热格子玻尔兹曼方法(simplified thermal lattice Boltzmann method,STLBM)的演化过程不需要依赖分布函数,只涉及平衡态分布函数和非平衡态分布函数,能够直接演化宏观量,极大减小了计算过程中所占用的虚拟内存,简化了边界条件的实现方式,同时具有较高的稳定性.传统的浸没边界法对流场的计算采用欧拉网格,对固体边界采用拉格朗日网格,认为固体边界是对流场产生某种体积力.在应用浸没边界法时,汲取介观的思想,把固体的介入看作是对流场的干扰,打破了固体附近流体介观微团颗粒原始的平衡状态,这种干扰可以看作是在耦合边界上产生的一个非平衡项,可用非平衡态分布函数来表示.基于此,在模型中浸没边界法与简化热格子玻尔兹曼方法更紧密联系在一起,更大程度发挥二者的优点,整个计算过程更加简单直观,符合物理特性.通过对热圆柱绕流和内含热颗粒的封闭方腔自然对流问题的模拟以及对其结果的分析,验证了该算法在求解流固耦合传热问题的有效性和可行性.      

N2与CO2对合成气爆炸特性影响的实验研究

为了研究惰性气体(氮气及二氧化碳)对合成气爆炸特性的影响,利用20L球形爆炸仪器,开展不同体积分数氮气与二氧化碳作用下不同当量比合成气的爆炸实验,从爆炸峰值压力、爆炸压力到达峰值时间、爆炸指数方面分析惰性气体对合成气爆炸特性的影响。研究结果表明:惰性气体体积分数的增加会降低合成气的爆炸压力和爆炸指数,推迟爆炸压力到达峰值的时间;在相同体积分数下,CO2比N2能更有效地降低合成气的爆炸峰值压力和爆炸指数,减小爆炸反应的剧烈程度,CO2在抑制合成气爆炸方面比N2的效果明显。