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Fault Identification for Shear-Type Structures Using Low-Frequency Vibration Modes
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作者 Cuihong Li Qiuwei Yang Xi Peng 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第3期2769-2791,共23页
Shear-type structures are common structural forms in industrial and civil buildings,such as concrete and steel frame structures.Fault diagnosis of shear-type structures is an important topic to ensure the normal use o... Shear-type structures are common structural forms in industrial and civil buildings,such as concrete and steel frame structures.Fault diagnosis of shear-type structures is an important topic to ensure the normal use of structures.The main drawback of existing damage assessment methods is that they require accurate structural finite element models for damage assessment.However,for many shear-type structures,it is difficult to obtain accurate FEM.In order to avoid finite elementmodeling,amodel-freemethod for diagnosing shear structure defects is developed in this paper.This method only needs to measure a few low-order vibration modes of the structure.The proposed defect diagnosis method is divided into two stages.In the first stage,the location of defects in the structure is determined based on the difference between the virtual displacements derived from the dynamic flexibility matrices before and after damage.In the second stage,damage severity is evaluated based on an improved frequency sensitivity equation.Themain innovations of this method lie in two aspects.The first innovation is the development of a virtual displacement difference method for determining the location of damage in the shear structure.The second is to improve the existing frequency sensitivity equation to calculate the damage degree without constructing the finite elementmodel.Thismethod has been verified on a numerical example of a 22-story shear frame structure and an experimental example of a three-story steel shear structure.Based on numerical analysis and experimental data validation,it is shown that this method only needs to use the low-order modes of structural vibration to diagnose the defect location and damage degree,and does not require finite element modeling.The proposed method should be a very simple and practical defect diagnosis technique in engineering practice. 展开更多
关键词 Fault diagnosis shear steel structure vibration mode dynamic flexibility frequency sensitivity
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Assessment of electrostatic discharge sensitivity of nitrogen-rich heterocyclic energetic compounds and their salts as high energy-density dangerous compounds:A study of structural variables
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作者 Mohammad Hossein Keshavarz Sedigheh Heydari Bani +1 位作者 Reza Bakhtiari Seyyed Hesamodin Hosseini 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第9期15-22,共8页
Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous... Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous explosive reactions when subjected to external stimuli such as electrical discharge.Therefore,developing a reliable model for predicting their electrostatic discharge sensitivity(ESD)becomes imperative.This study proposes a novel and straightforward model based on the presence of specific groups(-NH_(2) or-NH-,-N=N^(+)-O^(-)and-NNO_(2),-ONO_(2) or-NO_(2))under certain conditions to assess the ESD of NRHECs and their salts,employing interpretable structural parameters.Utilizing a comprehensive dataset comprising 54 ESD measurements of NRHECs and their salts,divided into 49/5 training/test sets,the model achieves promising results.The Root Mean Square Error(RMSE),Mean Absolute Error(MAE),and Maximum Error for the training set are reported as 0.16 J,0.12 J,and 0.5 J,respectively.Notably,the ratios RMSE(training)/RMSE(test),MAE(training)/MAE(test),and Max Error(training)/Max Error(test)are all greater than 1.0,indicating the robust predictive capabilities of the model.The presented model demonstrates its efficacy in providing a reliable assessment of ESD for the targeted NRHECs and their salts,without the need for intricate computer codes or expert involvement. 展开更多
关键词 Electrostatic discharge sensitivity Heterocyclic energetic compounds containing azole compound Interpretable structural parameter Safety
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Influence of the embedded structure on the EFP formation of compact terminal sensitive projectile 被引量:7
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作者 Bo-yang Xing Rong-zhong Liu +4 位作者 Rui Guo Liang Chen Hao Zhou Yong-liang Yang Lei Liu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2017年第4期310-315,共6页
To improve the damage efficiency of compact terminal sensitive projectile with EFP warhead,it is vital to understand how the embedded structure(ES)affects the EFP forming performance.In this paper,the corresponding nu... To improve the damage efficiency of compact terminal sensitive projectile with EFP warhead,it is vital to understand how the embedded structure(ES)affects the EFP forming performance.In this paper,the corresponding numerical investigation is focused on,in which the fluid-structure interaction(FSI)method and the experimental verification are used.Based on the obtained quantitative relations between the forming performance and a(the ratio of height to maximum radius of ES),an optimal design is further provided.The results indicate that:when the embedded structural length and width range 0.1e0.3D and 0.1e0.2D(D:diameter of EFP warhead)at a fixed volume,respectively,EFP forming velocity nearly keeps as a constant,1760 m/s;the height of ES has a dramatical effect on the propagating range of detonation wave,resulting in significant influence on the aerodynamic shape and length-to-diameter ratio of EFP;under the given constraints,the EFP length-diameter ratio can reach the optimal value2.76,when the height of ES is 0.22D. 展开更多
关键词 TERMINAL sensitive PROJECTILE EMBEDDED structure DETONATION wave EFP formation
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Synthesis,Crystal Structure,Thermal Decomposition and Sensitive Properties of a New Complex [Cu(IMI)_4](PA)_2 被引量:1
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作者 WANG Shi-wei WU Bi-dong +3 位作者 YANG Li ZHANG Tong-lai ZHOU Zun-ning ZHANG Jian-guo 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2012年第4期585-589,共5页
A new coordination complex [Cu(IMI)4](PA)2 had been synthesized with imidazole(IMI) as ligands and picrate(PA-) groups as outer anions,and characterized by Fourier transform infrared(FTIR) spectrum and eleme... A new coordination complex [Cu(IMI)4](PA)2 had been synthesized with imidazole(IMI) as ligands and picrate(PA-) groups as outer anions,and characterized by Fourier transform infrared(FTIR) spectrum and elemental analysis.Its crystal structure was determined by single crystal X-ray diffraction(XRD) analysis.The crystallographic data show that the crystal belongs to monoclinic,C2/c space group,a=2.542(5) nm,b=0.91773(18) nm,c=1.3778(3) nm,β=107.854(3)° and Z=4.Furthermore,the central copper(II) ion is coordinated by four N atoms from four imidazole ligands.All the molecular units are linked into a zigzag pattern along a-axis by the hydrogen bonds,and extended to the distance regularly.Thermal decomposition mechanisms were determined based on differential scanning calorimetry(DSC) and thermogravimetry-differential thermogravimetry(TG-DTG) analysis,and kinetic parameters of the first exothermic process were studied using Kissinger's and Ozawa-Doyle's method,respectively.Sensitivity tests show that the title complex has low sensitivity to external stimulus,but it has a higher energy of combustion of 14.2 kJ/g due to which it may be used as the additives of energetic materials to improve the explosive performance. 展开更多
关键词 COPPER IMIDAZOLE Crystal structure Thermal decomposition sensitivity
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Sound absorption of several various nickel foam multilayer structures at aural frequencies sensitive for human ears 被引量:1
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作者 Pei-sheng LIU Xin-bang XU +1 位作者 Wei CHENG Jing-he CHEN 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2018年第7期1334-1341,共8页
Using the three-dimensional reticular nickel foam as experimental material, the sound absorption performance was investigated for several various multilayer structures in the frequency range of 2000-4000 Hz, which is ... Using the three-dimensional reticular nickel foam as experimental material, the sound absorption performance was investigated for several various multilayer structures in the frequency range of 2000-4000 Hz, which is aurally sensitive for human ears. The results showed that the 7.5 mm-thick foam sample, which was formed by piling of 5-layer foam plate(thickness: 1.5 mm; porosity: 96%; average pore-diameter: 0.65 mm) could exhibit an excellent sound absorption effect at 4000 Hz, with the absorption coefficient about 0.8. Constituting alternate air gap with the total thickness of about 18.5 mm can greatly improve the absorption performance at relatively low frequencies of 2000-3150 Hz, with the absorption coefficient up to about 0.5 or more. In addition, the research showed that alternate piling up the perforated plate inside the foam plates can also achieve a quite good effect of sound absorption at relatively low frequencies. 展开更多
关键词 reticular nickel foam composite structure of sound absorption aurally sensitive frequency sound absorption
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Identification of the sensitive area for targeted observation to improve vertical thermal structure prediction in summer in the Yellow Sea 被引量:1
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作者 Huiqin Hu Jingyi Liu +3 位作者 Lianglong Da Wuhong Guo Kun Liu Baolong Cui 《Acta Oceanologica Sinica》 SCIE CAS CSCD 2021年第7期77-87,共11页
The sensitive area of targeted observations for short-term(7 d)prediction of vertical thermal structure(VTS)in summer in the Yellow Sea was investigated.We applied the Conditional Nonlinear Optimal Perturbation(CNOP)m... The sensitive area of targeted observations for short-term(7 d)prediction of vertical thermal structure(VTS)in summer in the Yellow Sea was investigated.We applied the Conditional Nonlinear Optimal Perturbation(CNOP)method and an adjoint-free algorithm with the Regional Ocean Modeling System(ROMS).We used vertical integration of CNOP-type temperature errors to locate the sensitive areas,where reduction of initial errors is expected to yield the greatest improvement in VTS prediction for the selected verification area.The identified sensitive areas were northeast−southwest orientated northeast to the verification area,which were possibly related to the southwestward background currents.Then,we performed a series of sensitivity experiments to evaluate the effectiveness of the identified sensitive areas.Results show that initial errors in the identified sensitive areas had the greatest negative effect on VTS prediction in the verification area compared to errors in other areas(e.g.,the verification area and areas to its east and northeast).Moreover,removal of initial errors through deploying simulated observations in the identified sensitive areas led to more refined prediction than correction of initial conditions in the verification area itself.Our results suggest that implementation of targeted observation in the CNOP-based sensitive areas is an effective method to improve short-term prediction of VTS in summer in the Yellow Sea. 展开更多
关键词 targeted observation sensitive area vertical thermal structure(VTS) conditional nonlinear optimal perturbation(CNOP)
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Grain structure effect on quench sensitivity of Al-Zn-Mg-Cu-Cr alloy 被引量:1
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作者 李承波 韩素琦 +2 位作者 刘胜胆 邓运来 张新明 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2016年第9期2276-2282,共7页
The effect of grain structure on quench sensitivity of an Al-Zn-Mg-Cu-Cr alloy was investigated by hardness testing, optical microscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscop... The effect of grain structure on quench sensitivity of an Al-Zn-Mg-Cu-Cr alloy was investigated by hardness testing, optical microscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscopy and scanning transmission electron microscopy. The results show that with the decrease of quenching rate from 960 ℃/s to 2 ℃/s, the hardness after aging is decreased by about 33% for the homogenized and solution heat treated alloy(H-alloy) with large equiaxed grains and about 43% for the extruded and solution heat treated alloy(E-alloy) with elongated grains and subgrains. Cr-containing dispersoids make contribution to about 33% decrement in hardness of the H-alloy due to slow quenching; while in the E-alloy, the amount of(sub) grain boundaries is increased by about one order of magnitude, which leads to a further 10% decrement in hardness due to slow quenching and therefore higher quench sensitivity. 展开更多
关键词 grain structure Al-Zn-Mg-Cu-Cr alloy DISPERSOIDS quench sensitivity
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Field-assisted tunneling enabled pressure-sensitive composites/sensors for smart concrete structures 被引量:2
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作者 Baoguo Han 《功能材料信息》 2013年第5期10-20,共11页
Spiky spherical nickel powder with sharp nano-tips on its surface is a kind of excellent fillers for developing pressure-sensitive cement-based composites/sensors for traffic detection,structural health monitoring,and... Spiky spherical nickel powder with sharp nano-tips on its surface is a kind of excellent fillers for developing pressure-sensitive cement-based composites/sensors for traffic detection,structural health monitoring,and border and military security.The sharp nano-tips on the surface of spiky spherical nickel particles can induce field emission and tunneling effects,which leads to the ultrahigh pressure-sensitive responses of the cement-based composites.In this paper,we systematically introduce research on nanotip-induced ultrahigh pressure-sensitive cement-based composites/sensors,with attentions to their pressure-sensitive property and sensing mechanism,pressure-sensitive characteristic model,and smart structure system for traffic detection. 展开更多
关键词 材料科学 功能材料 市场 价格
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In-situ observation and modeling approach to evolution of pore-fracture structure in coal 被引量:2
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作者 Hongwei Zhou Zelin Liu +3 位作者 Jiawei Zhao Bocen Chen Xiangnan Li Jiangcheng Zhong 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2023年第3期265-274,共10页
The characterisation of the pore-fracture structure(PFS)and its evolution in coal during mining are essential for preventing gas outbursts and improving gas extraction efficiency.In this study,the evolution of the PFS... The characterisation of the pore-fracture structure(PFS)and its evolution in coal during mining are essential for preventing gas outbursts and improving gas extraction efficiency.In this study,the evolution of the PFS in coal samples under the condition of mining stress was directly captured in situ by combination of the mechanical testing system with high-precision visualisation nuclear magnetic resonance equipment.A fractional derivative model was established to describe the relationship between stress and porosity based on experimental results of the PFS under different stress states.The results showed that with an increase in the deviatoric stress,the adsorption pore content increases rapidly initially and then increases slowly or remains unchanged;the seepage pore and fracture(SPF)content decreases initially and then increases.The SPF compressibility coefficient decreases with an increase in the deviatoric stress.The fractional derivative model can accurately describe the stress sensitivity of the SPFs at the pre-peak stage,thus providing a new approach for accurately characterising the seepage characteristics of coal reservoirs. 展开更多
关键词 Pore-fracture structure Fractional derivative Stress sensitivity COMPRESSIBILITY Nuclear magnetic resonance imaging
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Finite Element Model Updating of Bridge Structures Based on Sensitivity Analysis and Optimization Algorithm 被引量:6
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作者 HUANG Minshui ZHU Hongping 《Wuhan University Journal of Natural Sciences》 CAS 2008年第1期87-92,共6页
The dynamic characteristics of bridge structures, such as the natural frequencies, mode shapes and model damping ratio, are the basis of structural dynamic computation, seismic analysis, vibration control and structur... The dynamic characteristics of bridge structures, such as the natural frequencies, mode shapes and model damping ratio, are the basis of structural dynamic computation, seismic analysis, vibration control and structural health condition monitoring. In this paper, a three-dimensional finite-element model is established for a highway bridge over a railway on No.312 National Highway and the ambient test is carried out in site, the dynamic characteristics of the bridge are studied using the finite-element analysis and ambient vibration measurements. Comparison between the theoretical and experimental results shows that the frequency differences of the modes range between 0.44% and 8.77%. If the measurement is more reliable, the finite element model updating is necessary. Thus, a set of design variables is selected based on sensitivity analysis, then the finite element model of the bridge is updated based on optimization algorithm. The results of model updating show that the proposed updating method in this paper is more simple and effective, the updated finite element model can reflect the dynamic characteristics of the bridge better, the analytical results can provide the theoretical basis for damage identification and health condition monitoring of the bridge. 展开更多
关键词 sensitivity analysis optimization algorithm model updating bridge structure
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THE SATELLITE STRUCTURE TOPOLOGY OPTIMIZATION BASED ON HOMOGENIZATION METHOD AND ITS SIZE SENSITIVITY ANALYSIS 被引量:2
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作者 ChenChangya PanJin WangDeyu 《Acta Mechanica Solida Sinica》 SCIE EI 2005年第2期173-180,共8页
With the development of satellite structure technology, more and more design parameters will affect its structural performance. It is desirable to obtain an optimal structure design with a minimum weight, including op... With the development of satellite structure technology, more and more design parameters will affect its structural performance. It is desirable to obtain an optimal structure design with a minimum weight, including optimal configuration and sizes. The present paper aims to describe an optimization analysis for a satellite structure, including topology optimization and size optimization. Based on the homogenization method, the topology optimization is carried out for the main supporting frame of service module under given constraints and load conditions, and then the sensitivity analysis is made of 15 structural size parameters of the whole satellite and the optimal sizes are obtained. The numerical result shows that the present optimization design method is very effective. 展开更多
关键词 satellite structure topology optimization homogenization method size optimization sensitivity analysis
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Structure optimization of connection frames based on frequency sensitivity in macro-micro motion platforms 被引量:1
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作者 Lufan Zhang Xueli Li +3 位作者 Haihong Zhang Haixin Li Hu Li Jun Wu 《Nanotechnology and Precision Engineering》 EI CAS CSCD 2019年第1期40-47,共8页
High-performance connection frames are of great significance for ultra-high acceleration and ultra-precision positioning in macro-micro motion platforms. This paper first takes the connection frame as a research objec... High-performance connection frames are of great significance for ultra-high acceleration and ultra-precision positioning in macro-micro motion platforms. This paper first takes the connection frame as a research object,builds a finite element model(FEM) of the natural frequency of the frame, and then verifies the correctness of this model. The frequency sensitivity method is then used to perturb the structural parameters of the FEM of the connection frame, and the sensitivities of the first-order natural frequency and mass of the corresponding structural parameters are obtained by calculation and analysis. The design variables are also determined. The natural frequency is used as the optimization objective, and the design parameters and mass of the connection frame are constrained. The structural parameters of the connecting frame are obtained through optimization, and the model is built and verified by experiments. The results show that the first-order natural frequency of the connecting frame is effectively improved by the frequency sensitivity method, avoids resonance between the connecting frame and the voice coil motor, and realizes the lightweight design of the connection frame. This research provides a reliable basis for the stable operation and ultra-precision positioning of ultra-high acceleration macro-motion platforms. 展开更多
关键词 Ultra-high ACCELERATION CONNECTION FRAME NATURAL frequency sensitivity structure optimization
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Sensitivity analysis and probability modelling of the structural response of a single-layer reticulated dome subjected to an external blast loading
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作者 Shao-bo Qi Guang-yan Huang +1 位作者 Xu-dong Zhi Feng Fan 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第5期152-163,共12页
The structural response of a single-layer reticulated dome to external explosions is shaped by many variables,and the associated uncertainties imply non-deterministic results.Existing deterministic methods for predict... The structural response of a single-layer reticulated dome to external explosions is shaped by many variables,and the associated uncertainties imply non-deterministic results.Existing deterministic methods for predicting the consequences of specific explosions do not account for these uncertainties.Therefore,the impact of the uncertainties associated with these input variables on the structures’response needs to be studied and quantified.In this study,a parametric uncertainty analysis was conducted first.Then,local and global sensitivity analyses were carried out to identify the drivers of the structural dynamic response.A probabilistic structural response model was established based on sensitive variables and a reasonable sample size.Furthermore,some deterministic empirical methods for explosion-resistance design,including the plane blast load model of CONWEP,the curved blast load model under the 50%assurance level,and the 20%mass-increased method,were used for evaluating their reliability.The results of the analyses revealed that the structural response of a single-layer reticulated dome to an external blast loading is lognormally distributed.Evidently,the MB0.5 method based on the curved reflector load model yielded results with a relatively stable assurance rate and reliability,but CONWEP did not;thus,the 1.2MB0.5 method can be used for making high-confidence simple predictions.In addition,the results indicated that the structural response is very sensitive to the explosion parameters.Based on these results,it is suggested that for explosion proofing,setting up a defensive barrier is more effective than structural strengthening. 展开更多
关键词 Dome structure Blast load uncertainty sensitivity analysis Probabilistic investigation Reliability evaluation
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Finite element response sensitivity analysis of three-dimensional soil-foundation-structure interaction (SFSI) systems 被引量:7
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作者 Gu Quan Liu Yongdou +1 位作者 Li Yong Lin Chun 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2018年第3期555-566,共12页
The nonlinear finite element(FE) analysis has been widely used in the design and analysis of structural or geotechnical systems.The response sensitivities(or gradients) to the model parameters are of significant i... The nonlinear finite element(FE) analysis has been widely used in the design and analysis of structural or geotechnical systems.The response sensitivities(or gradients) to the model parameters are of significant importance in these realistic engineering problems.However the sensitivity calculation has lagged behind,leaving a gap between advanced FE response analysis and other research hotspots using the response gradient.The response sensitivity analysis is crucial for any gradient-based algorithms,such as reliability analysis,system identification and structural optimization.Among various sensitivity analysis methods,the direct differential method(DDM) has advantages of computing efficiency and accuracy,providing an ideal tool for the response gradient calculation.This paper extended the DDM framework to realistic complicated soil-foundation-structure interaction(SFSI) models by developing the response gradients for various constraints,element and materials involved.The enhanced framework is applied to three-dimensional SFSI system prototypes for a pilesupported bridge pier and a pile-supported reinforced concrete building frame structure,subjected to earthquake loading conditions.The DDM results are verified by forward finite difference method(FFD).The relative importance(RI) of the various material parameters on the responses of SFSI system are investigated based on the DDM response sensitivity results.The FFD converges asymptotically toward the DDM results,demonstrating the advantages of DDM(e.g.,accurate,efficient,insensitive to numerical noise).Furthermore,the RI and effects of the model parameters of structure,foundation and soil materials on the responses of SFSI systems are investigated by taking advantage of the sensitivity analysis results.The extension of DDM to SFSI systems greatly broaden the application areas of the d gradient-based algorithms,e.g.FE model updating and nonlinear system identification of complicated SFSI systems. 展开更多
关键词 finite element method response sensitivity analysis direct differentiation method finite difference method soil-foundation-structure interaction
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Selective hydrogenation of 1,3-butadiene on iridium nanostructures:Structure sensitivity, host effect, and deactivation mechanism
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作者 Mengru Wang Yuxue Yue +6 位作者 Yi Wang Xiaoling Mou Renqin Chang Zupeng Chen Ronghe Lin Jia Zhao Yunjie Ding 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第6期541-554,I0015,共15页
A systematic study on the structure sensitivity,host effect,and the deactivation mechanism of Ircatalyzed selective hydrogenation of 1,3-butadiene,a key process in the purification of alkadiene for the upgrading of C4... A systematic study on the structure sensitivity,host effect,and the deactivation mechanism of Ircatalyzed selective hydrogenation of 1,3-butadiene,a key process in the purification of alkadiene for the upgrading of C4 cut,is presented by coupling steady-state catalytic testing,in-depth characterization,kinetic evaluation,and density functional theory calculations.We reveal that:(i) 1,3-Butadiene hydrogenation on iridium is structure-sensitive with the optimal particle size of about 2 nm,and the H_(2) dissociation energy is a reliable activity descriptor;(ii) The nature of the NC hosts exerts a critical impact on the catalytic performance,and balanced nitrogen content and speciation seem key for the optimized performance;and (iii) Different deactivation mechanisms occur:fouling by coke deposition on the catalysts with a high N:C ratio (>1),and site blockage due to the competitive adsorption between 1-butene/cis-2-butene and 1,3-butadiene.These molecular insights provide valuable guidelines for the catalyst design in selective hydrogenations. 展开更多
关键词 1 3-Butadiene DEACTIVATION HYDROGENATION IRIDIUM Nitrogen-doped carbon structure sensitivity
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Geometry, Electronic Structure, and Related Properties of Dye Sensitizer: 3,4-bis[1- (carboxymethyl)-3-indolyl]- 1 H-pyrrole-2,5-dione
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作者 Cai-rong Zhang You-zhi Wu +3 位作者 Yu-hong Chen Yu-tian Ding Ding-jun Zhang Hong-shan Chen 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2009年第1期63-68,共6页
The geometry, electronic structure, polarizability and hyperpolarizability of dye sensitizer 3,4-bis[1-(carboxymethyl)-3-indolyl]-1H-pyrrole-2,5-dione (BIMCOOH) were studied using density functional theory (DFT)... The geometry, electronic structure, polarizability and hyperpolarizability of dye sensitizer 3,4-bis[1-(carboxymethyl)-3-indolyl]-1H-pyrrole-2,5-dione (BIMCOOH) were studied using density functional theory (DFT) with hybrid functional B3LYP, and the electronic absorption spectra were investigated using semi-empirical quantum chemical method ZINDO-1 and time-dependent DFT (TDDFT). The results of natural bond orbital suggest that the natural charges of the dione, indole, and acetic groups are about 0.15e, -0.29e, and 0.44e, respectively. The calculated isotropic polarizability, polarizability anisotropy invariant and hyperpolarizability are 305.4, 188.3, and 1155.4 a.u., respectively. The electronic absorption spectral features in visible and near-UV region were assigned to the π→π^* transition due to the qualitative agreement between the experiment and the TDDFT calculations, and the transitions of the excited states 9-11 related to photoinduced intramolecular charge transfer processes. The analysis of electronic structure and UV-Vis absorption indicates that the indole groups primarily contributed sensitization of photo-to-currency conversion processes, and the interracial electron transfer between semiconductor TiO2 electrode and dye sensitizer BIMCOOH are electron injection processes from excited states of the dyes to the semiconductor conduction band. 展开更多
关键词 Dye sensitizer Electronic structure Density functional theory Absorption spectrum
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Sensitivity Study on Durability Variables of Marine Concrete Structures
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作者 Xin'gang Zhou Kefei Li 《Journal of Marine Science and Application》 2013年第2期200-207,共8页
In order to study the influence of parameters on durability of marine concrete structures, the parameter's sensitivity analysis was studied in this paper. With the Fick's 2nd law of diffusion and the deterministic s... In order to study the influence of parameters on durability of marine concrete structures, the parameter's sensitivity analysis was studied in this paper. With the Fick's 2nd law of diffusion and the deterministic sensitivity analysis method (DSA), the sensitivity factors of apparent surface chloride content, apparent chloride diffusion coefficient and its time dependent attenuation factor were analyzed. The results of the analysis show that the impact of design variables on concrete durability was different. The values of sensitivity factor of chloride diffusion coefficient and its time dependent attenuation factor were higher than others. Relative less error in chloride diffusion coefficient and its time dependent attenuation coefficient induces a bigger error in concrete durability design and life prediction. According to probability sensitivity analysis (PSA), the influence of mean value and variance of concrete durability design variables on the durability failure probability was studied. The results of the study provide quantitative measures of the importance of concrete durability design and life prediction variables. It was concluded that the chloride diffusion coefficient and its time dependent attenuation factor have more influence on the reliability of marine concrete structural durability. In durability design and life prediction of marine concrete structures, it was very important to reduce the measure and statistic error of durability design variables. 展开更多
关键词 marine concrete structures DURABILITY deterministic sensitivity analysis (DSA) probability sensitivity analysis (PSA) reliability chloride diffusion coefficient
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Second-order sensitivity of eigenpairs in multiple parameter structures
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作者 陈塑寰 郭睿 孟广伟 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2009年第12期1475-1487,共13页
This paper presents methods for computing a second-order sensitivity matrix and the Hessian matrix of eigenvalues and eigenvectors of multiple parameter structures. Second-order perturbations of eigenvalues and eigenv... This paper presents methods for computing a second-order sensitivity matrix and the Hessian matrix of eigenvalues and eigenvectors of multiple parameter structures. Second-order perturbations of eigenvalues and eigenvectors are transformed into multiple parameter forms,and the second-order perturbation sensitivity matrices of eigenvalues and eigenvectors are developed.With these formulations,the efficient methods based on the second-order Taylor expansion and second-order perturbation are obtained to estimate changes of eigenvalues and eigenvectors when the design parameters are changed. The presented method avoids direct differential operation,and thus reduces difficulty for computing the second-order sensitivity matrices of eigenpairs.A numerical example is given to demonstrate application and accuracy of the proposed method. 展开更多
关键词 multiple parameter structures second-order sensitivity of eigenpairs efficient computational method
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Self-sensitization Structure of Expanded Ammonium Nitrate and Its Effect on ANFO Detonation Properties
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作者 曾贵玉 吕春绪 黄辉 《Defence Technology(防务技术)》 SCIE EI CAS 2009年第3期209-214,共6页
The expanded ammonium nitrate (EAN) samples with different states were prepared by using a vacuum crystallizing technology. The structure characters,such as porosity,pore structure,specific surface area,particle surfa... The expanded ammonium nitrate (EAN) samples with different states were prepared by using a vacuum crystallizing technology. The structure characters,such as porosity,pore structure,specific surface area,particle surface shape and surface defects,and detonator initiation sensitivity and explosion power,of common ammonium nitrate (AN) and EAN were tested using density measuring,N2 adsorbing,scanning electron microscope (SEM) and plate trace test methods. The tested results show that the particle surface of common AN is smoother,denser,lower porosity and specific surface area than those tested of EAN. The particle surface of EAN is irregular,which has edges,protuberance and severely distorted crystal form,and its specific surface area and porosity are larger than those of un-expanded AN. EAN has typical self-sensitization structure characters. The detonator initiation sensitivity and explosion power of ammonium nitrate-fuel oil(ANFO) made of different states of EAN are related to the self-sensitization structures of EAN,and expanded ANFO sample has higher detonator initiation sensitivity and explosion power compared with un-expanded ANFO sample. The characterization techniques can be used to reveal the self-sensitization structure of EAN. 展开更多
关键词 铵油炸药 孔隙结构 自敏化 爆轰性能 膨化硝铵 膨化硝酸铵 测试方法 比表面积
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Dye-sensitized solar cells: Atomic scale investigation of interface structure and dynamics
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作者 马薇 张帆 孟胜 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第8期2-12,共11页
Recent progress in dye-sensitized solar cells (DSC) research is reviewed, focusing on atomic-scale investigations of the interface electronic structures and dynamical processes, including the structure of dye adsorp... Recent progress in dye-sensitized solar cells (DSC) research is reviewed, focusing on atomic-scale investigations of the interface electronic structures and dynamical processes, including the structure of dye adsorption onto Ti02, ultrafast electron injection, hot-electron injection, multiple-exciton generation, and electron-hole recombination. Advanced exper- imental techniques and theoretical approaches are briefly summarized, and then progressive achievements in photovoltaic device optimization based on insights from atomic scale investigations are introduced. Finally, some challenges and oppor- tunities for further improvement of dye solar cells are presented. 展开更多
关键词 dye-sensitized solar cells interface structure ABSORPTION electron injection multiple-exciton generation charge recombination
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