Molecular simulation study on the evolution process of hydrate residual structures into hydrate

The clathrate hydrate memory effect is a fascinating phenomenon with potential applications in carbon capture,utilization and storage(CCUS),gas separation,and gas storage as it can accelerate the secondary formation of clathrate hydrate.However,the underlying mechanism of this effect remains unclear.To gain a better understanding of the mechanism,we conducted molecular dynamic simulations to simulate the initial formation and reformation processes of methane hydrate.In this work,we showed the evolution process of hydrate residual structures into hydrate cages.The simulation results indicate that the residual structures are closely related to the existence of hydrate memory effect,and the higher the contribution of hydrate dissociated water to the hydrate nucleation process,the faster the hydrate nucleation.After hydrate dissociation,the locally ordered structures still exist after hydrate dissociation and can promote the formation of cluster structures,thus accelerating hydrate nucleation.Additionally,the nucleation process of hydrate and the formation process of clusters are inseparable.The size of clusters composed of cup-cage structures is critical for hydrate nucleation.The residence time at high temperature after hydrate decomposition will affect the strength of the hydrate memory effect.Our simulation results provide microscopic insights into the occurrence of the hydrate memory effect and shed light on the hydrate reformation process at the molecular scale.

Structural properties of residual carbon in coal gasification fine slag and their influence on flotation separation and resource utilization:A review

Coal gasification fine slag(FS)is a typical solid waste generated in coal gasification.Its current disposal methods of stockpil-ing and landfilling have caused serious soil and ecological hazards.Separation recovery and the high-value utilization of residual carbon(RC)in FS are the keys to realizing the win-win situation of the coal chemical industry in terms of economic and environmental benefits.The structural properties,such as pore,surface functional group,and microcrystalline structures,of RC in FS(FS-RC)not only affect the flotation recovery efficiency of FS-RC but also form the basis for the high-value utilization of FS-RC.In this paper,the characteristics of FS-RC in terms of pore structure,surface functional groups,and microcrystalline structure are sorted out in accordance with gasification type and FS particle size.The reasons for the formation of the special structural properties of FS-RC are analyzed,and their influence on the flotation separation and high-value utilization of FS-RC is summarized.Separation methods based on the pore structural characterist-ics of FS-RC,such as ultrasonic pretreatment-pore-blocking flotation and pore breaking-flocculation flotation,are proposed to be the key development technologies for improving FS-RC recovery in the future.The design of low-cost,low-dose collectors containing polar bonds based on the surface and microcrystalline structures of FS-RC is proposed to be an important breakthrough point for strengthening the flotation efficiency of FS-RC in the future.The high-value utilization of FS should be based on the physicochemical structural proper-ties of FS-RC and should focus on the environmental impact of hazardous elements and the recyclability of chemical waste liquid to es-tablish an environmentally friendly utilization method.This review is of great theoretical importance for the comprehensive understand-ing of the unique structural properties of FS-RC,the breakthrough of the technological bottleneck in the efficient flotation separation of FS,and the expansion of the field of the high value-added utilization of FS-RC.

Ghost Module Based Residual Mixture of Self-Attention and Convolution for Online Signature Verification

Online Signature Verification (OSV), as a personal identification technology, is widely used in various industries.However, it faces challenges, such as incomplete feature extraction, low accuracy, and computational heaviness. Toaddress these issues, we propose a novel approach for online signature verification, using a one-dimensionalGhost-ACmix Residual Network (1D-ACGRNet), which is a Ghost-ACmix Residual Network that combines convolutionwith a self-attention mechanism and performs improvement by using Ghost method. The Ghost-ACmix Residualstructure is introduced to leverage both self-attention and convolution mechanisms for capturing global featureinformation and extracting local information, effectively complementing whole and local signature features andmitigating the problem of insufficient feature extraction. Then, the Ghost-based Convolution and Self-Attention(ACG) block is proposed to simplify the common parts between convolution and self-attention using the Ghostmodule and employ feature transformation to obtain intermediate features, thus reducing computational costs.Additionally, feature selection is performed using the random forestmethod, and the data is dimensionally reducedusing Principal Component Analysis (PCA). Finally, tests are implemented on the MCYT-100 datasets and theSVC-2004 Task2 datasets, and the equal error rates (EERs) for small-sample training using five genuine andforged signatures are 3.07% and 4.17%, respectively. The EERs for training with ten genuine and forged signaturesare 0.91% and 2.12% on the respective datasets. The experimental results illustrate that the proposed approacheffectively enhances the accuracy of online signature verification.

基于双通道Residual-LSTM的SINS/GNSS组合导航算法

针对全球导航卫星系统信号中断情况下SINS/GNSS组合导航系统无法持续进行误差校正的问题,提出一种基于双通道Residual-LSTM的SINS/GNSS组合导航算法。首先,考虑到SINS经度、纬度误差传播特性不同所导致的模型输入、输出信息之间的非线性相关性差异化,构建具有不同权重系数的双通道长短期记忆神经网络模型结构,并引入遗忘信息共享机制自适应地利用历史导航数据对经度、纬度信息进行拟合预测。其次,针对深层神经网络存在的模型退化和梯度消失问题,在多层双通道LSTM网络之间建立残差高速通道形成Residual-LSTM模型结构,以增加不同网络层次之间的信息传播路径。最后,通过实船数据验证本文所提算法的有效性。实验结果表明,与基于常规智能方法的SINS/GNSS组合导航算法相比,所提组合导航算法在GNSS信号中断期间经度误差降低了51.97%,纬度误差降低了31.45%。

Superimposed versus residual basin:The North Yellow Sea Basin

The North Yellow Sea Basin is a Mesozoic and Cenozoic basin. Based on basin-margin facies, sedimentary thinning, size and shape of the basin and vitrinite reflectance, North Yellow Sea Basin is not a residual basin. Analysis of the development of the basin＇s three structural layers, self-contained petroleum systems, boundary fault activity, migration of the Mesozoic--Cenozoic sedimentation centers, different basin structures formed during different periods, and superposition of a two-stage extended basin and one-stage depression basin, the North Yellow Sea Basin is recognized as a superimposed basin.

基于1D-RSLBCNN的齿轮箱故障诊断

针对传统故障模型参数多,训练和检测时间长的问题,提出了基于残差结构和局部二进制卷积(1D-RSLBCNN)的齿轮箱故障诊断方法。其利用局部二进制卷积层来替代传统卷积层,在减少模型参数的同时,加快了训练速度和收敛速度;同时在网络模型中引入残差结构,避免了由于网络深度的增加引起的正确率饱和甚至下降的问题。实验结果表明,局部二进制卷积层的参数量为传统卷积层的1/3,诊断准确率更是高达99.7%。与其他模型相比,具有更稳定、可靠的预测精度。

A Multi-level Approach for Complex Fault Isolation Based on Structured Residuals

In industrial processes,there exist faults that have complex effect on process variables.Complex and simple faults are defined according to their effect dimensions.The conventional approaches based on structured residuals cannot isolate complex faults.This paper presents a multi-level strategy for complex fault isolation.An extraction procedure is employed to reduce the complex faults to simple ones and assign them to several levels.On each level,faults are isolated by their different responses in the structured residuals.Each residual is obtained insensitive to one fault but more sensitive to others.The faults on different levels are verified to have different residual responses and will not be confused.An entire incidence matrix containing residual response characteristics of all faults is obtained,based on which faults can be isolated.The proposed method is applied in the Tennessee Eastman process example,and the effectiveness and advantage are demonstrated.

Residual Dipolar Couplings in Structure Determination of Natural Products

The determination of natural products stereochemistry remains a formidable task.Residual dipolar couplings(RDCs)induced by anisotropic media are a powerful tool for determination of the stereochemistry of organic molecule in solution.This review will provide a short introduction on RDCs-based methodology for the structural elucidation of natural products.Special attention is given to the current availability of alignment media in organic solvents.The applications of RDCs for structural analysis of some examples of natural products were discussed and summarized.Graphical Abstract This review provides a short introduction on RDCs-based methodology for the structural elucidation of natural products.Special attention is given to the current availability of alignment media in organic solvents.The applications of RDCs for structural analysis of some examples of natural products were discussed and summarized.

Using pore-solid fractal dimension to estimate residual LNAPLs saturation in sandy aquifers:A column experiment

The“tailing”effect caused by residual non-aqueous phase liquids(NAPLs)in porous aquifers is one of the frontiers in pollution hydrogeology research.Based on the current knowledge that the residual NAPLs is mainly controlled by the pore structure of soil,this study established a method for evaluating the residual saturation of NAPLs by investigating the fractal dimension of porous media.In this study,the soil column experiments of residual light NAPLs(LNAPLs)in sandy aquifer with different ratios of sands and soil were carried out,and the correlation between the fractal dimension of the medium,the residual of LNAPLs and the soil structure parameters are statistically analyzed,and its formation mechanism and main control factors are discussed.The results show that:Under our experimental condition:(1)the fractal dimension of the medium has a positive correlation with the residual saturation of NAPLs generally,and the optimal fitting function can be described by a quadratic model:S_(R)=192.02 D2-890.73 D+1040.8;(2)the dominant formation mechanism is:Smaller pores in the medium is related to larger fractal dimension,which leads to higher residual saturation of NAPLs;stronger heterogeneity of the medium is related to larger fractal dimension,which also leads to higher residual saturation of NAPLs;(3)the micro capillary pores characterized by fine sand are the main controlling factors of the formation mechanism.It is concluded that both the theory and the method of using fractal dimension of the medium to evaluate the residual saturation of NAPLs are feasible.This study provides a new perspective for the research of“tailing”effect of NAPLs in porous media aquifer.

Occurrence and influence of residual gas released by crush methods on pore structure in Longmaxi shale in Yangtze Plate, Southern China

The composition of gas released under vacuum by crushing from the gas shale of Longmaxi Formation in Upper Yangtze Plate,Southern China was systematically investigated in this study.The effect of residual gas release on pore structures was checked using low-pressure nitrogen adsorption techniques.The influence of particle size on the determination of pore structure characteristics was considered.Using the Frenkel-Halsey-Hill method from low-pressure nitrogen adsorption data,the fractal dimensions were identified at relative pressures of 0‒0.5 and 0.5‒1 as D1 and D2,respectively,and the evolution of fractal features related to gas release was also discussed.The results showed that a variety component of residual gas was released from all shale samples,containing hydrocarbon gas of CH4(29.58%‒92.53%),C2H6(0.97%‒2.89%),C3H8(0.01%‒0.65%),and also some non-hydrocarbon gas such as CO2(3.54%‒67.09%)and N2(1.88%‒8.07%).The total yield of residual gas was in a range from 6.1μL/g to 17.0μL/g related to rock weight.The geochemical and mineralogical analysis suggested that the residual gas yield was positively correlated with quartz(R^2=0.5480)content.The residual gas released shale sample has a higher surface area of 17.20‒25.03 m^2/g and the nitrogen adsorption capacity in a range of 27.32‒40.86 ml/g that is relatively higher than the original samples(with 9.22‒16.30 m^2/g and 10.84‒17.55 ml/g).Clearer hysteresis loop was observed for the original shale sample in nitrogen adsorption-desorption isotherms than residual gas released sample.Pore structure analysis showed that the proportions of micro-,meso-and macropores were changed as micropores decreased while meso-and macropores increased.The fractal dimensions D1 were in range from 2.5466 to 2.6117 and D2 from 2.6998 to 2.7119 for the residual gas released shale,which is smaller than the original shale.This factor may indicate that the pore in residual gas released shale was more homogeneous than the original shale.The results indicated that both residual gas and their pore space have few contributions to shale gas production and effective reservoir evaluation.The larger fragments samples of granular rather than powdery smaller than 60 mesh fraction of shale seem to be better for performing effective pore structure analysis to the Longmaxi shale.

Three-Dimensional Thermo-Elastic-Plastic Finite Element Method Modeling for Predicting Weld-Induced Residual Stresses and Distortions in Steel Stiffened-Plate Structures

The objective of the present paper is to develop nonlinear finite element method models for predicting the weld-induced initial deflection and residual stress of plating in steel stiffened-plate structures. For this purpose, three-dimensional thermo-elastic-plastic finite element method computations are performed with varying plate thickness and weld bead length (leg length) in welded plate panels, the latter being associated with weld heat input. The finite element models are verified by a comparison with experimental database which was obtained by the authors in separate studies with full scale measurements. It is concluded that the nonlinear finite element method models developed in the present paper are very accurate in terms of predicting the weld-induced initial imperfections of steel stiffened plate structures. Details of the numerical computations together with test database are documented.

DATABASE STRUCTURE FOR THE INTEGRATION OF RS WITH GIS BASED ON SEMANTIC NETWORK

The integration of remote sensing (RS) with geographical information system (GIS) is a hotspot in geographical information science.A good database structure is important to the integration of RS with GIS,which should be beneficial to the complete integration of RS with GIS,able to deal with the disagreement between the resolution of remote sensing images and the precision of GIS data,and also helpful to the knowledge discovery and exploitation.In this paper,the database structure storing the spatial data based on semantic network is presented.This database structure has several advantages.Firstly,the spatial data is stored as raster data with space index,so the image processing can be done directly on the GIS data that is stored hierarchically according to the distinguishing precision.Secondly,the simple objects are aggregated into complex ones.Thirdly,because we use the indexing tree to depict the relationship of aggregation and the indexing pictures expressed by 2_D strings to describe the topology structure of the objects,the concepts of surrounding and region are expressed clearly and the semantic content of the landscape can be illustrated well.All the factors that affect the recognition of the objects are depicted in the factor space,which provides a uniform mathematical frame for the fusion of the semantic and non_semantic information.Lastly,the object node,knowledge node and the indexing node are integrated into one node.This feature enhances the ability of system in knowledge expressing,intelligent inference and association.The application shows that this database structure can benefit the interpretation of remote sensing image with the information of GIS.

REACTION OF FERROCENOYL CHLORIDE WITH [Et_(?)NH] [μ-CO)(μ-RS)Fe_2(CO)_6]COMPLEXES SYNTHESIS AND STRUCTURE OF Fe_2(CO)_6COMPLEXES WITH BRIDGING FERROCENOYL LIGAND

Reaction of ferrocenoyl chloride with [Et;NH] [（μ-CO）(μ-RS) Fe;=（CO）;] complexes gave bridging ferrocenoyl complexes（μ-FcCO）(μ-RS)Fe;（CO）;（Fc=ferrocenyl, R=Et, i-Pr, n-Bu, t-Bu, Ph）.The structures of all new complexes were characterised by;HNMR, IR and MS.

On the use of residual dipolar couplings in multi-state structure calculation of two-domain proteins

Residual dipolar couplings(RDCs)are powerful nuclear magnetic resonance(NMR)probes for the structure calculation of biomacromolecules.Typically,an alignment tensor that defines the orientation of the entire molecule relative to the magnetic field is determined either before refinement of individual bond vectors or simultaneously with this refinement.For single-domain proteins this approach works well since all bond vectors can be described within the same coordinate frame,which is given by the alignment tensor.However,novel approaches are sought after for systems where no universal alignment tensor can be used.Here,we present an approach that can be applied to two-domain proteins that enables the calculation of multiple states within each domain as well as with respect to the relative positions of the two domains.

Evaluation of Porous Structure of Cement Pastes Made with Residual Rice Husk Ash

In several countries, the residual RHA （rice husk ash） has been produced in rice processing industries or in thermoelectric plants that use rice husk to generate heat and/or electrical energy, usually without burning process control. This causes a reduction in the amorphous silica content of residual RHA, which distinguishes them from the RHA produced according to controlled burning process, which is totally amorphous and considered a highly reactive pozzolan. In this paper, the hydration products and the porous structure of binders paste were studied by replacing, in weight of 5%, 10% and 20% of Portland cement OPC （ordinary Portland cement）, by residual RHAs named A and B, which have high and low content of amorphous silica, respectively, using microstructure evaluation techniques as XRD （X-ray diffraction）, TG （thermogravimetric） tests and MIP （mercury intrusion porosimetry）. A reducing the size of the pores of the pastes was observed according to the increase of content replacement of RHA A and RHA B.

Numerical Simulation Investigation on Split Sleeve Cold Expansion of Ti-Al Stacked Structure

Split sleeve cold expansion(SSCX)can efiectively enhance fatigue life of holes by improving the field of residual stress.Numerical simulations were conducted to investigate the parameter influence mechanism and obtain higher compressive residual stress(CRS).Expansion method,degree of cold expansion(DCE),friction coefficient between laminations and depth-diameter ratio were analyzed.For Ti-Al stacked joint holes,two expansion methods are proposed,namely aluminum alloy first followed titanium alloy(Al first)and titanium alloy first followed aluminum alloy(Ti first).The results show that expansion method and DCE have significant efiects on the field of circumferential residual stress,and the friction has a negligible influence.A higher value of CRS and a wider layer of plastic deformation are induced with Ti first.Optimal DCE of TiAl stacked structure is 5.2%-5.6%.As the depth-diameter ratio is in the range of 0.5-1.25,a positive linear correlation between the maximum compressive residual stress(CRS_(max))and depth-diameter ratio is shown.

大学新生学习适应、社交适应、情绪适应间的动态联系:一项追踪研究

从高中到大学的学校过渡是典型的发展转折点。大学新生既要适应学业环境、社交网络的改变,还要适应自我发展中身心转变。适应心理各维度的发展轨迹各不相同,但同时在发展中也会以一种有意义的方式相互联系。本研究采用密集追踪设计,招募了426名大学新生在入学后第一学期进行连续19周的问卷测查,考察学习适应、社交适应和情绪适应的时间趋势以及三者之间的相互关系。动态结构方程结果表明:(1)大学新生的社交适应状况的动态变化相对稳定,而学习适应和情绪适应状况随时间呈下降趋势;(2)新生学习适应每周的波动变化独立于情绪适应和社交适应;(3)新生社交适应、情绪适应之间存在交叉滞后关联。了解新生适应心理的发展规律,将有助于学生的自我发展和学校开展有针对性的适应教育。

基于轻量化SSD的交通标志检测算法

实时精确的交通标志检测是自动驾驶和智能交通的关键技术。针对现有智能检测算法检测复杂真实道路场景下的交通标志速度慢、无法较好地适用于嵌入式终端设备的问题,提出了一种基于轻量化SSD的交通标识检测算法。该算法采用MobileNetV3_large网络替代VGG16网络,可减少模型参数,提高检测实时性;利用添加SE模块的逆残差结构B-neck替换对应的标准卷积增强低层特征层的语义信息;设计改进RFB网络提升小交通标志的检测能力,重新设置预设先验框的尺寸,提升模型对特定数据集的检测能力。实验结果表明,改进SSD算法在中国交通标志检测数据集上的mAP值可达89.04%,比MobileNet-SSD算法提高了5.26%;帧率可达60 frames/s,比SSD算法提高了23 frames/s。所提算法具有较高的实时性和检测精度,对复杂交通环境具有更好的鲁棒性。

基于改进VGG16的自编码器视频异常检测算法

在使用自编码器结构的神经网络处理视频异常检测任务时,U-Net风格的自编码器由于编码器层数深度过浅,导致在面对复杂的数据集时,不能充分抽取更多有用的特征信息。同时,在训练模型时使用MSE(均方误差),仅考虑了预测帧与真实帧之间的像素级相似性,对于复杂场景,像素级相似性可能无法准确判断预测帧与真实帧之间的相似性。针对以上问题,对基于U-Net风格的自编码器进行改进,提出了一种使用改进的VGG16作为编码器的视频异常检测算法,同时在均方误差的基础上添加结构相似性(SSIM)损失函数。改进的VGG16去掉了全连接层,并加入了残差连接防止特征退化,添加SSIM在计算像素级相似性的同时计算图像的亮度、对比度和结构等方面的相似性来优化网络。实验结果表明,改进后的算法,在Ped2数据集上检测效果达到95.91%,在Avenue数据集上检测效果达到84.89%,与改进前的方法相比分别提高了0.80%和0.19%,验证了所提方法的有效性。

残余应力对GH3230层板焊缝热疲劳寿命影响规律研究

为了探究残余应力对层板冷却结构焊缝服役寿命的影响规律,首先对GH3230层板在常规条件下的激光焊接过程进行有限元模拟与实验验证,然后在此基础上对预拉伸、温差拉伸等焊接残余应力调控方法开展模拟。基于焊后残余应力模拟结果研究了层板服役过程的温度及等效应力变化规律,并将多个模型之间不同残余应力下服役状态进行对比分析,最后利用Morrow修正的Coffin-Manson方程对焊缝后续服役寿命进行评估。研究结果表明,焊接残余应力的存在大幅降低了层板结构焊缝区域热疲劳寿命,通过残余应力调控技术可有效改善焊缝区域服役过程中的应力幅或平均应力,使其分别下降70%与25%,焊接残余应力调控对提高层板结构热疲劳寿命具有重要意义。