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Intracellular and current source density analysis of pretectal input to the optic tectum of the frog
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作者 李晓红 康宏建 +1 位作者 徐茂林 松本修文 《Neuroscience Bulletin》 SCIE CAS CSCD 2010年第5期371-380,共10页
Objective Electrophysiological examination of the ipsilateral pretectotectal projection has proved that pretectal cells elicit strong suppressive responses to the ipsilateral tectum.However,the neural mechanisms under... Objective Electrophysiological examination of the ipsilateral pretectotectal projection has proved that pretectal cells elicit strong suppressive responses to the ipsilateral tectum.However,the neural mechanisms underlying the contralateral pretectotectal prejection are still obscure.The present study aimed to examine the synaptic nature of pretectal nuclei and contralateral tectal cells,and to demonstrate the spatiotemporal pattern of neuronal activity in the 2 main brain structures. Methods Intracellular recording and current source density(CSD)analysis were used to test the complexity of neuronal mechanism of pretectotectal information transfer.Results The pretectal stimulation elicited only one type of response on the contralateral tectum,the inhibitory postsynaptic potential(IPSP).The majority of contra-induced IPSPs were assumed to be polysynaptically driven.In the CSD analysis,only one sink with short latency was observed in each profile.The ipsilateral projection produced a prominent monosynaptic sink in layer 8 of tectum.Recipient neurons were located in layers 6 and 7 of tectum.The result confirmed former findings from ipsilateral intracellular recordings.Conclusion These results suggest the following neuronal circuit:afferents from the pretectal nuclei broadly inhibit both tectal neuron,and since no second sink occurs in tectal layers,the pretectotectal excitatory afferents probably do not extend over the whole tectum,but are within limited state.The results of intracellular recording and CSD analysis further provide evidence of how pretectal afferent activity flows within the tectal laminae. 展开更多
关键词 intracellular recording current source density analysis optic tectum FROG
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Evaluation and optimization analysis of high-speed rail network structure in Northeast China under the background of northeast revitalization 被引量:1
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作者 XU Shaojie WANG Fuyuan WANG Kaiyong 《Regional Sustainability》 2021年第4期349-362,共14页
The construction of high-speed rail(HSR)network has promoted the social-economic ties of cities,accelerated the compression of time and space,and changed the pattern of regional development.In this paper,with the adop... The construction of high-speed rail(HSR)network has promoted the social-economic ties of cities,accelerated the compression of time and space,and changed the pattern of regional development.In this paper,with the adoption of the operation frequency data of HSR from 12306 website,and based on the HSR connection strength model and social network analysis model,as well as according to the HSR connection strength,HSR network density,centrality,agglomeration subgroup,and other indicators,we analyzed the characteristics of HSR network structure in Northeast China.Results show that the number of HSR cities in Northeast China is small,cities in HSR network generally exhibit weak connectivity,and the existence of HSR network marginalizes cities such as Ulanhot,Baicheng,and Songyuan,which significantly reduce the overall network connectivity of Northeast China.The overall centrality of HSR network in Northeast China is characterized by“one axis,four edges”;specifically,the one axis is located in Harbin-Dalian transportation line and the four edges are located on both sides of the main axis of Harbin-Dalian transportation line.Eight agglomeration subgroups(four double city subgroups and four multi city subgroups)have formed in Northeast China.The core status of Shenyang in HSR network is improved significantly,and“one axis and two wings”HSR network in Liaoning Province is improved significantly.With the gradual expansion of Chaoyang-Fuxin,Dandong-Benxi,and Jilin-Yanji branch networks,the“point axis”HSR network mode in Northeast China has gradually developed and matured.In the future,it is recommended to rely on eight agglomerating subgroups to encrypt HSR network structure,create secondary node central cities,and gradually build a new pattern of opening up in Northeast China. 展开更多
关键词 Social network analysis High-speed rail network structure Operation frequency Intercity connection intensity Network density analysis Northeast China
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CO_2 Density-Raman Shift Relation Derived from Synthetic Inclusions in Fused Silica Capillaries and Its Application 被引量:9
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作者 SONG Yucai CHOU I'Ming +2 位作者 HU Wenxuan Burruss ROBERT LU Wanjun 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2009年第5期932-938,共7页
The densities of CO2 inclusions in minerals are commonly used to determine the crystallizing conditions of the host minerals. However, conventional microthermometry is difficult to apply for inclusions of small size ... The densities of CO2 inclusions in minerals are commonly used to determine the crystallizing conditions of the host minerals. However, conventional microthermometry is difficult to apply for inclusions of small size (〈 5-10 μm) or low density. Raman analysis is an alternative method for determining CO2 density, provided that the CO2 density-Raman shift relation is known. This study aims to establish this CO2 density-Raman shift relation by using CO2 inclusions synthesized in fused silica capillaries. By using this newly-developed synthetic technique, we formed pure CO2 inclusions, and their densities were determined by microthermometry. The Raman analysis showed that the relation between CO2 density (D in g/cm^3) and the separations (△ in cm^-1) between the two main bands (i.e. Fermi diad bands) in CO2 Raman spectra can be represented by a cubic equation: D (g/cm^3)=0.74203(-0.019^3+5.90332△^2-610.79472△+21050.30165)-3.54278 (r^2=0.99920). Our calculated D value for a given A is between those obtained from two previously-reported equations, which were derived from different experimental methods. An example was given in this study to demonstrate that the densities of natural CO2 inclusions that could not be derived from microthermometry could be determined by using our method. 展开更多
关键词 synthetic fluid inclusion fused silica capillary COz inclusion C02 density equation Raman analysis
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AFM Analysis of TiN, TiAlN, and TiAlSiN Coatings Prepared by Cathodic Arc Ion Plating 被引量:5
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作者 王文昌 ZHANG Ling 孔德军 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2016年第5期1093-1098,共6页
The TiN, TiAlN, and TiAlSiN coatings were prepared on YT14 cutting tool surface with CAIP(cathode arc ion plating), the surface morphologies and phases were analyzed with FESEM(field emission scanning electron micr... The TiN, TiAlN, and TiAlSiN coatings were prepared on YT14 cutting tool surface with CAIP(cathode arc ion plating), the surface morphologies and phases were analyzed with FESEM(field emission scanning electron microscopy), and XRD(X-ray diffraction), respectively, and the coating parameters such as 3D surface micro-topography, grain size, surface height, hierarchy, profile height, and power spectral density, etc, were measured with AFM(atomic force microscope). The results show that the phases of TiN, TiAlN, and TiAlSiN coatings are TiN, TiN+TiAlN, TiN+Si_3N_4+TiAlN, respectively, while the surface roughness Sa of TiN, TiAlN, and TiAlSiN coatings is 75.3, 98.9, and 42.1 nm, respectively, and the roughness depth Sk is 209, 389, and 54 nm, respectively, the sequence of average grain sizes is TiAlN〉TiN〉TiAlSiN. The surface bearing index Sbi of TiN, TiAlN, and TiAlSiN coatings is 0.884, 1.01, and 0.37, respectively, and the sequence of surface bearing capability is TiAlN〉TiN〉TiAlSiN. At the lower wavelength(102-103 nm), the power spectral densities have a certain correlation, and the sequence of TiN〉TiAlN〉TiAlSiN, while the correlation is low at the higher wavelength(〉103 nm). 展开更多
关键词 TiN TiAlN and TiAlSiN coatings AFM 3D surface micro-topography height analysis power spectral density
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Classification of Service Functions in the Life Circle of Beijing Subway Line 7
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作者 SUN Shuai XIANG Zixiong 《Journal of Landscape Research》 2024年第4期21-26,共6页
As a key node for the surrounding area,metro stations are closely connected with the surrounding urban space and develop cooperatively.Different types of metro stations have differences in land use and functional posi... As a key node for the surrounding area,metro stations are closely connected with the surrounding urban space and develop cooperatively.Different types of metro stations have differences in land use and functional positioning.This paper mainly used the methods of Tyson polygon,kernel density analysis and correlation analysis,based on POI data,to classify the stations of Beijing Metro Line 7.This paper made a detailed analysis of commercial subway stations,and analyzed the distribution characteristics of commercial metro stations on Line 7. 展开更多
关键词 POI data Kernel density analysis Correlation analysis Function analysis around metro station
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Bathymetry predicting using the altimetry gravity anomalies in South China Sea 被引量:4
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作者 Zhongmiao Sun Mingda Ouyang Bin Guan 《Geodesy and Geodynamics》 2018年第2期156-161,共6页
In South China Sea(112°E-119°E, 12°N-20°N), 81159 ship soundings published by NGDC(National Geophysics Data Center) and the altimetry gravity anomalies published by SIO(Scripps Institute of Oceanog... In South China Sea(112°E-119°E, 12°N-20°N), 81159 ship soundings published by NGDC(National Geophysics Data Center) and the altimetry gravity anomalies published by SIO(Scripps Institute of Oceanography) were used to predict bathymetry by GGM(gravity-geologic method) and SAS(Smith and Sandwell) method respectively. The residual 40576 ship soundings were used to estimate precisions of the predicted bathymetry models. Results showed that: the standard deviation of difference between the GGM model and ship soundings was 59.75 m and the relative accuracy was 1.86%. The SAS model is60.07 m and 1.87%. The power spectral densities of the ETOPO1, SIO, GGM and SAS models were also compared and analyzed. At last, we presented an integrated bathymetry model by weighted averaging method, the weighted factors were determined by precisions of the ETOPO1, SIO, GGM, and SAS model respectively. 展开更多
关键词 Gravity-geologic method Smith and Sandwell method BATHYMETRY Gravity anomaly Power spectral density analysis
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Theoretical Study on Hydrogen Interaction between 5-Fluorouracil and Glycine 被引量:3
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作者 和芹 霍爱新 +1 位作者 孟祥军 杨静 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第5期738-746,共9页
The geometries,electronic structure,IR spectrum and other properties of hydrogen interaction between 5-fluorouracil and glycine were studied at the B3LYP/6-31+G* level.Single point energy calculations were executed ... The geometries,electronic structure,IR spectrum and other properties of hydrogen interaction between 5-fluorouracil and glycine were studied at the B3LYP/6-31+G* level.Single point energy calculations were executed at the B3LYP/6-311++G** and B3LYP/aug-cc-pvdz levels,and natural bond orbital (NBO) analysis was carried out at the B3LYP/6-31+G* level.Finally,the hydrogen bonds were discussed via AIM electronic density topology analysis. 展开更多
关键词 B3LYP hydrogen bond 5-FLUOROURACIL GLYCINE electronic density topology analysis
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Reliability analysis based on a novel density estimation method for structures with correlations 被引量:2
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作者 Baoyu LI Leigang ZHANG +2 位作者 Xuejun ZHU Xiongqing YU Xiaodong MA 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2017年第3期1021-1030,共10页
Estimating the Probability Density Function(PDF) of the performance function is a direct way for structural reliability analysis,and the failure probability can be easily obtained by integration in the failure domai... Estimating the Probability Density Function(PDF) of the performance function is a direct way for structural reliability analysis,and the failure probability can be easily obtained by integration in the failure domain.However,efficiently estimating the PDF is still an urgent problem to be solved.The existing fractional moment based maximum entropy has provided a very advanced method for the PDF estimation,whereas the main shortcoming is that it limits the application of the reliability analysis method only to structures with independent inputs.While in fact,structures with correlated inputs always exist in engineering,thus this paper improves the maximum entropy method,and applies the Unscented Transformation(UT) technique to compute the fractional moments of the performance function for structures with correlations,which is a very efficient moment estimation method for models with any inputs.The proposed method can precisely estimate the probability distributions of performance functions for structures with correlations.Besides,the number of function evaluations of the proposed method in reliability analysis,which is determined by UT,is really small.Several examples are employed to illustrate the accuracy and advantages of the proposed method. 展开更多
关键词 Fractional moment Maximum entropy Probability density function Reliability analysis Unscented transformation
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2D-and 3D-QSBR Studies on the Relationship between Structure and Biodegradability of Phthalates 被引量:1
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作者 韩香云 石佳奇 陈天明 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第8期1109-1116,共8页
Nine phthalates were calculated at the B3LYP/6-311G** level using DFT method. The corresponding linear relationship equations (R2 were 0.853 and 0.936 respectively) for the biodegradation rate (Kb) and half-life... Nine phthalates were calculated at the B3LYP/6-311G** level using DFT method. The corresponding linear relationship equations (R2 were 0.853 and 0.936 respectively) for the biodegradation rate (Kb) and half-life time (h/2) of biodegradation were obtained with the structural parameters as theoretical descriptors. Furthermore, CoMFA method was also applied to establish 3D models which revealed the fields influencing these properties. The relationship between the properties and the structure was obtained. The correlation coefficients of the models were 0.992 and 0.999, respectively. Analyses of 2D and 3D models demonstrated that the molecular volume was an important factor affecting the biodegradability of these compounds. 展开更多
关键词 PHTHALATES BIODEGRADABILITY density functional theory comparative molecular field analysis
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Study on the Intramolecular Hydrogen Bonds of Dibenzofurans, Xanthones and Anthraquinones with One or Two Positions Substituted by Hydroxyls
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作者 仇静 石佳奇 陈国松 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第2期185-192,共8页
The thermodynamic properties of dibenzofurans (DFs), xanthones (XTs) and an-thraquinones (AQs) with one and two positions substituted with hydroxyls in the ideal gas state at 298.15 K and 1.013×10^5 pa were... The thermodynamic properties of dibenzofurans (DFs), xanthones (XTs) and an-thraquinones (AQs) with one and two positions substituted with hydroxyls in the ideal gas state at 298.15 K and 1.013×10^5 pa were calculated at the B3LYP/6-311G^* level using Gaussian 03 program. The isodesmic reactions were designed to calculate the standard free energy of formation (△fG^θ). Three types of hydrogen bonds exist in the three kinds of chemicals and their bond energies were ascertained as 7-15, 15-23 and 49-58 kJ·mo1^-1 respectively by comparing the △fG^θ values. Electronic density topology analysis was applied to validate the strength of bond. 展开更多
关键词 DIBENZOFURAN xanthones and anthraquinones hydroxyl substituent intramolecular hydrogen bond density functional theory electronic density topology analysis
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Solution of the Poisson-Boltzmann Equation for a Cylindrical Particle with a Limited Length: Functional Theoretical Approach
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作者 WANG Zheng-wu GU Ming-yan +1 位作者 ZHANG Ge-xin YI Xi-zhang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2005年第5期592-596,共5页
With the help of the method of separation of variables and the Debye-Hüchel approximation, the Poisson-Boltzmann equation that describes the distribution of the potential in the electrical double layer of a cylin... With the help of the method of separation of variables and the Debye-Hüchel approximation, the Poisson-Boltzmann equation that describes the distribution of the potential in the electrical double layer of a cylindrical particle with a limited length has been firstly solved under a very low potential condition. Then with the help of the functional analysis theory this equation has been further analytically solved under general potential conditions and consequently, the corresponding surface charge densities have been obtained. Both the potential and the surface charge densities cointide with those results obtained from the Debye-Hüchel approximation when the very low potential of zeψ〈〈kT is introduced. 展开更多
关键词 Cylindrical particle Electrical double layer Poisson-Boltzmann equation Surface charge density Functional analysis theory
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AIM Study on the Reaction of CH2SH Radical with Fluorine Atom
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作者 Cui-hong Suna Yan-li Zeng +1 位作者 Ling-peng Meng Shi-jun Zheng 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2008年第2期123-130,共8页
The reaction of CH2SH radical with fluorine atom was studied at the levels of B3LYP/6-311G(d,p) and MP2(Full)/6-311G(d,p). The computational results show that the reaction has three channels and proceeds by the ... The reaction of CH2SH radical with fluorine atom was studied at the levels of B3LYP/6-311G(d,p) and MP2(Full)/6-311G(d,p). The computational results show that the reaction has three channels and proceeds by the addition of fluorine atoms on carbon or sulfur sites of CH2SH, forming initial intermediates. The calculated results show that the channel, in which fluorine attaches to the carbon atom to form CH2S and HF, is the most likely reaction pathway. Topological analysis of electron density was carried out for the three channels. The change trends of the chemical bonds on the reaction paths were discussed. The energy transition states and the structure transition regions (states) of the three channels were found. The calculated results show that the structure transition regions are broad in unobvious exothermic reactions or unobvious endothermic reactions, and are narrow in obvious exothermic reactions or obvious endothermic reactions. 展开更多
关键词 Radical reaction Energy transition state Structure transition state Structure transition region Topological analysis of electronic density
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Single and double layer centrifugation improve the quality of cryopreserved bovine sperm from poor quality ejaculates
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作者 Alessia Gloria Augusto Carluccio +3 位作者 Laura Wegher Domenico Robbe Giovanni Befacchia Alberto Contri 《Journal of Animal Science and Biotechnology》 SCIE CAS CSCD 2017年第1期80-88,共9页
Background: Density gradient centrifugation was reported as a technique of semen preparation in assisted reproductive techniques in humans and animals. This technique was found to be efficient in improving semen qual... Background: Density gradient centrifugation was reported as a technique of semen preparation in assisted reproductive techniques in humans and animals. This technique was found to be efficient in improving semen quality after harmful techniques such as cryopreservation. Recently a modified technique, single layer centrifugation,was proposed as a technique providing a large amount of high quality spermatozoa, and this treatment was performed before conservation. Single layer centrifugation has been studied prevalently in stallions and in boars,but limited data were available for bulls. Occasionally bulls are known to experience a transient reduction in semen quality, thus techniques that allow improvement in semen quality could be applied in this context. The aim of this study was the evaluation of single layer and double layer centrifugation by the use of iodixanol, compared with conventional centrifugation and non-centrifuged semen, on the sperm characteristics during the cryopreservation process in bulls with normal and poor semen quality.Results: Single layer centrifugation and double layer centrifugation both significantly increased the percentage of normal spermatozoa and decreased the percentage of non-sperm cells in poor quality samples, while both were ineffective in those of normal quality. Sperm characteristics in poor quality samples increased after single layer centrifugation and double layer centrifugation, reaching values similar to those recorded in normal samples, and this trend is maintained after equilibration and after cryopreservation. On the other hand, SLC and DLC resulted in a consistent reduction in the spermatozoa recovered, and this resulted in a reduction of the absolute amount of spermatozoa cryopreserved in the normal samples, without a clear improvement in sperm characteristics in this type of sample.Conclusions: These data suggested that both SLC and DLC could be performed in practice, but their application should be limited to the cases in which the quality of the spermatozoa recovered is more important than the total amount of spermatozoa. 展开更多
关键词 Bull Cryopreservation density gradient centrifugation Iodixanol Semen analysis
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GIS-based spatial analysis of urban traffic accidents: Case study in Mashhad, Iran 被引量:8
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作者 Gholam Ali Shafabakhsh Afshin Famili Mohammad Sadegh Bahadori 《Journal of Traffic and Transportation Engineering(English Edition)》 2017年第3期290-299,共10页
There is a growing concern in traffic accident rate in recent years. Using Mashhad city (Iran second populous city) traffic accident records as case study, this paper applied the combi- nation of geo-information tec... There is a growing concern in traffic accident rate in recent years. Using Mashhad city (Iran second populous city) traffic accident records as case study, this paper applied the combi- nation of geo-information technology and spatial-statistical analysis to bring out the influence of spatial factors in their formation. The aim of the study is to examine 4 clustering analyses to have a better understanding of traffic accidents patterns in complex urban network. In order to deploy the clustering technique in urban roads, 9331 point features for inner city traffic accidents during 12 months have been registered according to their x and y location in geographic information system (GIS). The mentioned areas were analyzed by kernel density estimation (KDE) using ARCMAP and two other analyses using SANET 4th edition software so that the results of network analysis can be compared with traditional KDE method. In addi- tion, this research introduces five classifications for determining the eventfulness of the under study area based on standard deviation and to make priority in creating security in the area. The nearest neighbor and K-function output analysis consist of four curves and regarding the fact that for all fatal, injury and property damage only crashes, the observed value curve is above the 5% confidence interval. Accidents in the study region are more clustered than ex- pected by random chance. The importance of this study is to use GIS as a management system for accident analysis by combination of spatial-statistical methods. 展开更多
关键词 Traffic accidents HOTSPOTS Kernel density analysis Nearest neighbor K-FUNCTION
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Static Frame Model Validation with Small Samples Solution Using Improved Kernel Density Estimation and Confidence Level Method 被引量:5
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作者 ZHANG Baoqiang CHEN Guoping GUO Qintao 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2012年第6期879-886,共8页
An improved method using kernel density estimation (KDE) and confidence level is presented for model validation with small samples. Decision making is a challenging problem because of input uncertainty and only smal... An improved method using kernel density estimation (KDE) and confidence level is presented for model validation with small samples. Decision making is a challenging problem because of input uncertainty and only small samples can be used due to the high costs of experimental measurements. However, model validation provides more confidence for decision makers when improving prediction accuracy at the same time. The confidence level method is introduced and the optimum sample variance is determined using a new method in kernel density estimation to increase the credibility of model validation. As a numerical example, the static frame model validation challenge problem presented by Sandia National Laboratories has been chosen. The optimum bandwidth is selected in kernel density estimation in order to build the probability model based on the calibration data. The model assessment is achieved using validation and accreditation experimental data respectively based on the probability model. Finally, the target structure prediction is performed using validated model, which are consistent with the results obtained by other researchers. The results demonstrate that the method using the improved confidence level and kernel density estimation is an effective approach to solve the model validation problem with small samples. 展开更多
关键词 model validation small samples uncertainty analysis kernel density estimation confidence level prediction
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Regional moment-independent sensitivity analysis with its applications in engineering 被引量:8
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作者 Changcong ZHOU Chenghu TANG +2 位作者 Fuchao LIU Wenxuan WANG Zhufeng YUE 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2017年第3期1031-1042,共12页
Traditional Global Sensitivity Analysis(GSA) focuses on ranking inputs according to their contributions to the output uncertainty.However,information about how the specific regions inside an input affect the output ... Traditional Global Sensitivity Analysis(GSA) focuses on ranking inputs according to their contributions to the output uncertainty.However,information about how the specific regions inside an input affect the output is beyond the traditional GSA techniques.To fully address this issue,in this work,two regional moment-independent importance measures,Regional Importance Measure based on Probability Density Function(RIMPDF) and Regional Importance Measure based on Cumulative Distribution Function(RIMCDF),are introduced to find out the contributions of specific regions of an input to the whole output distribution.The two regional importance measures prove to be reasonable supplements of the traditional GSA techniques.The ideas of RIMPDF and RIMCDF are applied in two engineering examples to demonstrate that the regional moment-independent importance analysis can add more information concerning the contributions of model inputs. 展开更多
关键词 Cumulative distribution function Moment-independent Probability density function Regional importance measure Sensitivity analysis Uncertainty
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Density of Na3AIF6-AIF3-LiF-MgF2-Al2O3-Sm2O3 molten salt melt for Al-Sm alloy 被引量:1
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作者 Yunfen Jiao Xu Wang +4 位作者 Chunfa Liao Jia Su Hao Tang Boqing Cai Qiangchao Sun 《Journal of Rare Earths》 SCIE EI CAS CSCD 2018年第2期190-196,共7页
Samarium(Sm) has been widely used in making aluminum(Al)-Sm magnet alloy materials. The research team for this study developed a molten salt electrolyte system which directly produces AI-Sm alloy to replace the en... Samarium(Sm) has been widely used in making aluminum(Al)-Sm magnet alloy materials. The research team for this study developed a molten salt electrolyte system which directly produces AI-Sm alloy to replace the energy intensive conventional distillation technology. In this study, molten melt density was measured and operation conditions were optimized to separate AI-Sm alloy product from the fluoride molten melt electrolysis media based on density differences, Archimedes' principle was applied to measure density for the basic molten fluoride system(BMFS: Na_3 AlF_6-AlF_3-LiF-MgF_2)electrolysis media in the temperature range from 905 to 1055 ℃.The impact of temperature(t) and the Al_2O_3 and Sm_2O_3 addition ratio(w_((Al2O3)),w_((Sm2O3)) in the basic fluoride system on molten melt density was examined. The fluoride molten melt density relationship was determined to be:ρ=3.11701-0.00802 w_((Al2O3))+0.027825 w_((Sm2O3))-0.00117 t. The test results showed that molten density decreases with increase in temperature and Al_2O_3 addition ratio, and increases with the addition of Sm_2O_3, and/or Al_2O_3+Sm_2O_3. The separation of Al-Sm(density 2.3 g/cm^3) product melt from the BMFS melt is achieved by controlling the BMFS density to less than 2.0 g/cm3. It is concluded that the optimal operation conditions to control the BMFS molten salt density to less than 2.0 g/cm^3 are:maintain addition of Al_2O_3+Sm_2 O_3(w_((Al2O3))+w_((Sm2O3))〈9% of Na_3AlF_6,Al_2O_3/Sm_2O_3 ratio(w_((Al2O3)):w_((Sm2O3)))〉 7:3, and temperature between 965 and 995 ℃. 展开更多
关键词 Sm2O3 Molten salt density Regression analysis Al-Sm master alloy Rare earths
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Extractive desulfurization of model fuels with a nitrogen-containing heterocyclic ionic liquid
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作者 Guojia Yu Dongyu Jin +5 位作者 Xinyu Li Fan Zhang Shichao Tian Yixin Qu Zhiyong Zhou Zhongqi Ren 《Frontiers of Chemical Science and Engineering》 SCIE EI CSCD 2022年第12期1735-1742,共8页
A nitrogen-containing ionic liquid was synthesized using an aromatic nitrogen-containing heterocyclic and an amino acid,and applied to the extractive desulfurization process to remove benzothiophene,dibenzothiophene,a... A nitrogen-containing ionic liquid was synthesized using an aromatic nitrogen-containing heterocyclic and an amino acid,and applied to the extractive desulfurization process to remove benzothiophene,dibenzothiophene,and 4,6-dimethyldibenzothiphene from a model fuel oil.Chemical characterizations and simulation using Gaussian 09 software confirmed the rationality of an ionic liquid structure.Classification of non-covalent interactions between the ionic liquid and the three sulfur-containing contaminants was studied by reduced density gradient analysis.The viscosity of the ionic liquid was adjusted by addition of polyethylene glycol.Under extraction conditions of the volume of ionic liquid to oil as 1:1 and temperature as room temperature,the desulfurization selectivity of ionic liquid followed the order of 4,6-dimethyldibenzothiphene(15 min)<benzothiophene(15 min)≈dibenzothiophene(10 min).Addition of p-xylene and cyclohexene to the fuel oil had little effect.The extractant remained stable and effective after multiple regeneration cycles. 展开更多
关键词 extractive desulfurization nitrogen-containing heterocyclic ionic liquid reduced density gradient analysis desulfurization selectivity
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AIM Study on Reaction HNCX→HXCN (X=O, S and Se)
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作者 曾艳丽 孟令鹏 郑世钧 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2005年第9期1187-1192,共6页
The reactions of HNCO to HOCN, HNCS to HSCN and HNCSe to HSeCN have been studied at MP2/6-311 + + G(2df, pd)//B3LYP/6-311 + +G(2df, pd) level. Geometries of the reactants, transition states and products have b... The reactions of HNCO to HOCN, HNCS to HSCN and HNCSe to HSeCN have been studied at MP2/6-311 + + G(2df, pd)//B3LYP/6-311 + +G(2df, pd) level. Geometries of the reactants, transition states and products have been optimized and geometries of the transition states are reported for the first time. The reasons why HNCO and HNCS instead of HOCN and HSCN were easily detected have been explained. It was predicted that HNCSe will be more easily detected than HSeCN. The breakage and formation of the chemical bonds in the reactions have been discussed by the topological analysis method of electronic density. The calculated results show that there are two kinds of structure transition states (STS) in reactions studied. 展开更多
关键词 topological analysis of electronic density structure transition state isocyanic acid isothiocyanic acid isoselenocyanic acid
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