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Critical Opalescence and Its Impact on the Jet Quenching Parameter q
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作者 武警 曹杉杉 李峰 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第3期23-29,共7页
Jet quenching parameter q is essential for characterizing the interaction strength between jet partons and nuclear matter.Based on the quark-meson model,we develop a new framework for calculating q at finite chemical ... Jet quenching parameter q is essential for characterizing the interaction strength between jet partons and nuclear matter.Based on the quark-meson model,we develop a new framework for calculating q at finite chemical potentials,in which q is related to the spectral function of the chiral order parameter. 展开更多
关键词 parameter QUARK CALCULATING
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Pulsed gas–liquid discharge plasma catalytic degradation of bisphenol A over graphene/Cd S:process parameters optimization and O_(3)activation mechanism analysis
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作者 姜楠 李学川 +4 位作者 李举 李杰 廖兵 彭邦发 刘国 《Plasma Science and Technology》 SCIE EI CAS CSCD 2023年第10期81-90,共10页
In the present work,pulsed gas–liquid hybrid discharge plasma coupled with graphene/Cd S catalyst was evaluated to eliminate bisphenol A(BPA)in wastewater.The optimization of a series of process parameters was perfor... In the present work,pulsed gas–liquid hybrid discharge plasma coupled with graphene/Cd S catalyst was evaluated to eliminate bisphenol A(BPA)in wastewater.The optimization of a series of process parameters was performed in terms of BPA degradation performance.The experimental results demonstrated that nearly 90%of BPA(20 mg l^(-1))in the synthetic wastewater(p H=7.5,σ=10μS m^(-1))was degraded by the plasma catalytic system over 0.2 g l^(-1)graphene/Cd S at 19k V with a 4 l min^(-1)air flow rate and 10 mm electrode gap within 60 min.The BPA removal rate increased with increasing the discharge voltage and decreasing the initial BPA concentration or solution conductivity.Nevertheless,either too high or too low an air flow rate,electrode gap,catalyst dosage or initial solution p H would lead to a decrease in BPA degradation.Moreover,optical emission spectroscopy was used to gain information on short-lived reactive species formed from the pulsed gas–liquid hybrid discharge plasma system.The results indicated the existence of several highly oxidative free radicals such as·O and·OH.Finally,the activation pathway of O_(3)on the catalyst surface was analyzed by density functional theory. 展开更多
关键词 pulsed discharge gas-liquid discharge wastewater treatment parameters optimization DFT calculation
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Improvement of LCM model and determination of model parameters at watershed scale for flood events in Hongde Basin of China 被引量:1
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作者 Jun Li Chang-ming Liu 《Water Science and Engineering》 EI CAS CSCD 2017年第1期36-42,共7页
Considering the fact that the original two-parameter LCM model can only be used to investigate rainfall losses during the runoff period because the initial abstraction is not included, the LCM model was redefined as a... Considering the fact that the original two-parameter LCM model can only be used to investigate rainfall losses during the runoff period because the initial abstraction is not included, the LCM model was redefined as a three-parameter model, including the initial abstraction coefficient l, the initial abstraction Ia, and the rainfall loss coefficient R. The improved LCM model is superior to the original two-parameter model, which only includes r and R, where r is the initial rainfall loss index and can be calculated with l using the Soil Conservation Service curve number (SCS-CN) method, with r = 1/(1 + λ). The trial method was used to determine the parameter values of the improved LCM model at the watershed scale for 15 flood events in the Hongde Basin in China. The results show that larger r values are associated with smaller R values, and the parameter R ranges widely from 0.5 to 2.0. In order to improve the practicability of the LCM model, r = 0.833 with λ = 0.2 is reasonable for simplifying calculation. When the LCM model is applied to arid and semi-arid regions, rainfall without yielding runoff should be deducted from the total rainfall for more accurate estimation of rainfall-runoff. 展开更多
关键词 LCM model SCS-CN method RAINFALL-RUNOFF Initial abstraction Partial-area runoff Determination of parameter Loess Plateau
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Determination of the parameters of a linear-viscoelastic thin layer using the normally-incident ultrasonic waves 被引量:1
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作者 姚桂锦 吕卫国 +3 位作者 宋若龙 崔志文 张香林 王克协 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第7期350-357,共8页
This paper proposes a method of simultaneous determination of the four layer parameters (mass density, longitudinal velocity, the thickness and attenuation) of an immersed linear-viscoelastic thin layer by using the... This paper proposes a method of simultaneous determination of the four layer parameters (mass density, longitudinal velocity, the thickness and attenuation) of an immersed linear-viscoelastic thin layer by using the normally-incident reflected and transmitted ultrasonic waves. The analytical formula of the layer thickness related to the measured trans- mitted transfer functions is derived. The two determination steps of the four layer parameters are developed, in which acoustic impedance, time-of-flight and attenuation are first determined by the reflected transfer functions. Using the derived formula, it successively calculates and determines the layer thickness, longitudinal velocity and mass density by the measured transmitted transfer functions. According to the two determination steps, a more feasible and simplified measurement setups is described. It is found that only three signals (the reference waves, the reflected and transmitted waves) need to be recorded in the whole measurement for the determination of the four layer parameters. A study of the stability of the determination method against the experimental noises and the error analysis of the four layer parameters are made. This study lays the theoretical foundation of the practical measurement of a linear-viscoelastic thin layer. 展开更多
关键词 ultrasonic determination normally-incident reflected/transmitted waves layer parameters linear-viscoelastic thin layer
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DETERMINATION OF CREEP PARAMETERS FROM INDENTATION CREEP EXPERIMENTS 被引量:1
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作者 岳珠峰 万建松 吕震宙 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2003年第3期307-317,共11页
The possibilities of determining creep parameters for a simple Norton law material are explored from indentation creep testing. Using creep finite element analysis the creep indentation test technique is analyzed in t... The possibilities of determining creep parameters for a simple Norton law material are explored from indentation creep testing. Using creep finite element analysis the creep indentation test technique is analyzed in terms of indentation rates at constant loads. Emphasis is placed on the relationships between the steady creep behavior of indentation systems and the creep property of the indented materials. The role of indenter geometry, size effects and macroscopic constraints is explicitly considered on indentation creep experiments. The influence of macroscopic constraints from the material systems becomes important when the size of the indenter is of the same order of magnitude as the size of the testing material. Two methods have been presented to assess the creep property of the indented material from the indentation experimental results on the single-phase-material and two-phase-material systems. The results contribute to a better mechanical understanding and extending the application of indentation creep testing. 展开更多
关键词 indentation creep testing finite element creep stress analysis determination of creep parameters single-phase-material system two-phase-material system
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S Phase Cell Percentage Normalized BrdU Incorporation Rate, a New Parameter for Determining S Arrest 被引量:2
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作者 ZHAO Peng FU Juan Ling +2 位作者 YAO Bi Yun JIA Yong Rui ZHOU Zong Can 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 2014年第3期215-219,共5页
In this study, a new parameter, S phase cell percentage (S fraction) normalized BrdU (SFN-BrdU) incorporation rate, was introduced to detect $ arrest. The results showed a positive linear correlation between the B... In this study, a new parameter, S phase cell percentage (S fraction) normalized BrdU (SFN-BrdU) incorporation rate, was introduced to detect $ arrest. The results showed a positive linear correlation between the BrdU incorporation rate and the S fraction in unperturbed 16HBE cells. Theoretical analysis indicated that only S arrest could result in a decrease in the SFN-BrdU incorporation rate. Additionally, the decrease in SFN-BrdU incorporation rate and the activation of DNA damage checkpoints further demonstrated that S arrest was induced by diethyl sulfate treatment of 16HBE cells. In conclusion, $FN-BrdU incorporation rate can be used to detecting S arrest. 展开更多
关键词 BRDU RATE S Phase Cell Percentage Normalized BrdU Incorporation Rate a New parameter for Determining S Arrest
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Rheological Behaviour for Polymer Melts and Concentrated SolutionsPart Ⅱ: Material Function with Nagai Chain Constraints and Determination of Their Parameters from Flow Curves 被引量:3
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作者 Mingshi SONG Sizhu WU and Xiuyun DU(Research Institute of Polymeric Materials, Beijing University of Chemical Technology, Beijing, 100029, China) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1995年第2期141-152,共12页
An integral constitutive equation and a set of material functions for describing the strain history of polymer melts were formulated in terms of the Cauchy-Green and Finger tensors. A simple memory function and the de... An integral constitutive equation and a set of material functions for describing the strain history of polymer melts were formulated in terms of the Cauchy-Green and Finger tensors. A simple memory function and the dependence of ηo and τt on M3.4 were derived from the theory of non-linear viscoelasticity with constraints of entanglements for polymer melts and substituted into the Oldroye-Walters-Fredickson constitutive equation. An integral constitutive equation for polymer melts was consequently obtained. Some material functions of the constitutive equation related to certain 'test flow' are examined as follows : (1) simple steady shear flow; (2) steady elongation flow; (3) small-amplitude oscillatory shear flow; (4) stress growth upon the inception of steady shear elongation flow; (5) stress relaxation (modulus and compllance). These theoretical relations for simple steady shear flow were compared with experimental data from our laboratory and references for various polymer melts and concentrated solutions. A good agreement between the theory and experiment was achieved. 展开更多
关键词 LDPE Material Function with Nagai Chain Constraints and Determination of Their parameters from Flow Curves Rheological Behaviour for Polymer Melts and Concentrated SolutionsPart Flow GR
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Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model 被引量:1
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作者 Zhaochun ZHANG, Deliang CUI, Baibiao HUANG, Xiaoyan QIN and Minhua JIANG (Institute of Crystal Materials, Shandong University, Jinan 250100, China) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2000年第3期354-356,共3页
In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpr... In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model. 展开更多
关键词 In Calculation of Interaction parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model
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Determination of Kinetic Parameters and Metal Ions in Urea-Urease System Based on the Biochemical Reaction Heat Induced Laser Beam Deflection
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作者 Hong Tao YAN Xiao Yun ZHU (Department of Chemistry, Northwest University, Xian 710069) 《Chinese Chemical Letters》 SCIE CAS CSCD 2000年第2期157-160,共4页
A new analytical method for the determination of urea-urease system based on biochemical reaction heat induced laser beam deflection is presented in this paper. With the method, the Michaelis constant (K-m) of urease ... A new analytical method for the determination of urea-urease system based on biochemical reaction heat induced laser beam deflection is presented in this paper. With the method, the Michaelis constant (K-m) of urease and apparent inhibition constant (K-i) of some metal ion inhibitors were measured respectively. This method was also used for the quantitative determination of metal ions with satisfactory result. 展开更多
关键词 UREASE kinetic parameter metal ions determination laser beam deflection
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CHRONOABSORPTOMETRY FOR THE DETERMINATION OF KINETIC PARAMETERS OF ELECTRON TRANSFER REACTIONS USING LONG-OPTICAL-PATH ELECTROCHEMICAL CELL
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作者 Zhang Yu YU Mei QIN Mao Chun JING Department of Chemistry,Qufu Normal University,Qufu Shandong,273165 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第8期729-732,共4页
A single potential step chronoabsorptometric method for the determination of ki- netic parameters of simple quasi-reversible reactions is described.It is verified by determining the kinetic parameters for the electror... A single potential step chronoabsorptometric method for the determination of ki- netic parameters of simple quasi-reversible reactions is described.It is verified by determining the kinetic parameters for the electroreduction of ferricyanide.A long-optical-path electro- chemical cell with a plug-in electrode is used.The thickness of solution layer is 0.55 mm 展开更多
关键词 CHRONOABSORPTOMETRY FOR THE DETERMINATION OF KINETIC parameterS OF ELECTRON TRANSFER REACTIONS USING LONG-OPTICAL-PATH ELECTROCHEMICAL CELL SCE
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MOLTEN SALT PHASE DIAGRAMS CALCULATION USING ARTIFICIAL NEURAL NETWORK OR PATTERN RECOGNITION-BOND PARAMETERS PART 3.ESTIMATION OF LIQUIDUS TEMPERATURE AND EXPERT SYSTEM 被引量:3
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作者 Wang, Xueye Qiu, Guanzhou +2 位作者 Wang, Dianzuo Li, Chonghe Chen, Nianyi 《中国有色金属学会会刊:英文版》 EI CSCD 1998年第3期150-154,共5页
1INTRODUCTIONTheexperimentaldataontheliquiduslinesorsurfacesinbinaryorternarysystemsfromreferencesarealways... 1INTRODUCTIONTheexperimentaldataontheliquiduslinesorsurfacesinbinaryorternarysystemsfromreferencesarealwaysfinite.Sometimest... 展开更多
关键词 phase diagram CALCULATION artificial NEURAL network bond parameter MOLTEN SALT SYSTEM EXPERT SYSTEM
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MOLTEN SALT PHASE DIAGRAMS CALCULATION USING ARTIFICIAL NEURAL NETWORK OR PATTERN RECOGNITION-BOND PARAMETERS Part 2.Prediction of phase diagrams of ternary molten salt systems 被引量:1
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作者 Part 2. Prediction of phase diagrams of ternary molten salt systemsQiu Guanzhou, Wang Xueye and Wang DianzuoDepartment of Mineral Engineering, Central South University of Technology, Changsha 410083, P. R. ChinaChen NianyiShanghai Institut 《中国有色金属学会会刊:英文版》 CSCD 1998年第2期138-143,共6页
MOLTENSALTPHASEDIAGRAMSCALCULATIONUSINGARTIFICIALNEURALNETWORKORPATTERNRECOGNITIONBONDPARAMETERS①Part2.Pred... MOLTENSALTPHASEDIAGRAMSCALCULATIONUSINGARTIFICIALNEURALNETWORKORPATTERNRECOGNITIONBONDPARAMETERS①Part2.Predictionofphasediag... 展开更多
关键词 phase DIAGRAM CALCULATION artificial neural netwrok pattern recognition BOND parameter TERNARY MOLTEN SALT system
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Post-radiation survival time in hepatocellular carcinoma based on predictors for CT-determined, transarterial embolization and various other parameters 被引量:9
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作者 Ting-KaiLeung Chi-MingLee +3 位作者 Li-KuoShen Hsi-ChiChen Yu-ChengKuo Jeng-FongChiou 《World Journal of Gastroenterology》 SCIE CAS CSCD 2005年第11期1697-1699,共3页
AIM: In this retrospective study of unresectable helatocellular carcinoma (HCC), we have investigated the efficacy of CTderived parameters, laboratory measurements, clinical assessment and associated transarterial emb... AIM: In this retrospective study of unresectable helatocellular carcinoma (HCC), we have investigated the efficacy of CTderived parameters, laboratory measurements, clinical assessment and associated transarterial embolization (TAE) as predictors of post-radiotherapy survival time.METHODS: Sixty-six patients diagnosed with unresectable HCC that had undergone radiotherapy at two medical university hospitals in Taipei were enrolled in the study.Using multivariant analysis, pre-treatment parameters including tumor number and CT confirmation of PVT and ascites were compared. Multivariant analysis was also used for comparison of the mean pretreatment values for laboratory measurements, including alpha-fetoprotein,direct/total bilirubin and GOT/GPT levels, and clinical history of chronic hepatitis across the three survival-time categories. The χ2 was used to test the significance of the relationship between survival time and TAE procedure.The Pvalues for the above tests were deemed statisticallysignificant where P<0.05.RESULTS: Portal vein thrombosis (P = 0.032) and ascites (P<0.05) were negative predictors of post-radiation survival time. Low-grade liver cirrhosis (A or B), lower tumor volume and low levels of AFT, GOT/GPT, and total bilirubin were predictors of longer post-radiation survival time (P<0.05).CONCLUSION: The CT and clinical and laboratory assessment provide a reference for, and enable estimation of, probable survival times in HCC patients after radiotherapy. Tumor volume, severity of liver cirrhosis,status with respect to portal vein thrombosis and ascites and AFT, GOT/GPT and total bilirubin values were significant predictors of survival in this study. 展开更多
关键词 肝细胞癌 CT检查 血管栓塞 反射线疗法
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MOLTEN SALT PHASE DIAGRAMS CALCULATION USING ARTIFICIAL NEURAL NETWORK OR PATTERN RECOGNITION-BOND PARAMETERS
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作者 Wang Xueye, Qiu Guanzhou and Wang DianzuoDepartment of Mineral Engineering, Central South University of Technology, Changsha 410083, P. R. ChinaChen NianyiShanghai Institute of Metallurgy, Chinese Academy of Sciences, Shanghai 200050, P. R. Ch 《中国有色金属学会会刊:英文版》 CSCD 1998年第1期143-149,共7页
MOLTENSALTPHASEDIAGRAMSCALCULATIONUSINGARTIFICIALNEURALNETWORKORPATTERNRECOGNITIONBONDPARAMETERS①Part1.Thep... MOLTENSALTPHASEDIAGRAMSCALCULATIONUSINGARTIFICIALNEURALNETWORKORPATTERNRECOGNITIONBONDPARAMETERS①Part1.Thepredictionofthepha... 展开更多
关键词 phase diagram CALCULATION artificial NEURAL network PATTERN RECOGNITION bond parameter binary MOLTEN SALT system
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Identification of the Discrete Element Model Parameters for Rock-Like Brittle Materials
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作者 Rui Chen Yong Wang +3 位作者 Ruitao Peng Shengqiang Jiang Congfang Hu Ziheng Zhao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2020年第5期717-737,共21页
An inverse method for parameters identification of discrete element model combined with experiment is proposed.The inverse problem of parameter identification is transmitted to solve an optimization problem by minimiz... An inverse method for parameters identification of discrete element model combined with experiment is proposed.The inverse problem of parameter identification is transmitted to solve an optimization problem by minimizing the distance between the numerical calculations and experiment responses.In this method,the discrete element method is employed as numerical calculator for the forward problem.Then,the orthogonal experiment design with range analysis was used to carry out parameters sensitivity analysis.In addition,to improve the computational efficiency,the approximate model technique is used to replace the actual computational model.The intergeneration projection genetic algorithm(IP-GA)is employed as the optimization algorithm.Consequently,the parameters of the discrete element model are determined.To verify the effectiveness and accuracy of the inverse results,the comparisons of shape deviation experiments with discrete element simulations are provided.It indicates that the effective and reliable discrete element model parameters can be quickly obtained through several sets of experimental data.Hence,this inverse method can be applied more widely to determine the parameters of discrete element model for other materials. 展开更多
关键词 Discrete element model parameter determination rock-like materials IP-GA inverse method.
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Experimental study on parameter determination of fluid replacement equation for volcanic reservoirs
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作者 ZHOU Weiyi PAN Baozhi GUO Yuhang 《Global Geology》 2020年第4期234-240,共7页
In this study,the parameters of Gassmann equation based on fluid replacement theory are studied by measuring the acoustic velocity during the evaporation process of volcanic rocks in Nanpu area.The experimental data s... In this study,the parameters of Gassmann equation based on fluid replacement theory are studied by measuring the acoustic velocity during the evaporation process of volcanic rocks in Nanpu area.The experimental data show that with the decrease of porosity of tight volcanic rock,the acoustic velocity difference between dry and wet rock samples increases,which is conducive for the identification of gas bearing reservoirs with acoustic log data.The fluid bulk modulus distribution of volcanic rocks in the study area conforms to Brie model,and the value of empirical coefficient e is related to lithology.The experimental results show that there is a linear relationship between the P-wave transit time of dry and wet rock samples.Using porosity to calculate the acoustic transit time of saturated rock samples,and taking it into the experimental formula,we can get the P-wave transit time and bulk modulus of dry rock samples.According to the bulk modulus of mixed fluid,dry rock and rock matrix determined by experiments,the saturation of volcanic reservoir in Nanpu area is calculated by Gassmann equation,which is in good contrast with the conclusion of gas test.This study provides an experimental basis for quantitative evaluation of volcanic gas reservoirs using seismic and acoustic logging data. 展开更多
关键词 volcanic rock acoustic velocity Gassmann equation parameter determination saturation calculation
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Method to determine parameters in the rainstorm intensity formula
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作者 任柏帜 《Journal of Chongqing University》 CAS 2004年第2期30-33,共4页
This paper presents a new method to determine parameters in the nonlinear mathematical model of the urban rainfall intensity formula. The method transforms the nonlinear equation into a linear one, and incorperates a ... This paper presents a new method to determine parameters in the nonlinear mathematical model of the urban rainfall intensity formula. The method transforms the nonlinear equation into a linear one, and incorperates a damping factor and a step factor to improve the precision of the calculated results. It works out the parameters based on given rainstorm intensity, period of the recurrence of rainstorm and lasting time of the rainfall. The results turns out to have the smallest residual error compared with those obtained by several other methods and satisfy the related standard. The method proves of fast convergence, desirable generality, stability and accuracy, which overcomes the defects of other existing numeral methods. 展开更多
关键词 降雨量 暴风雨 降雨强度公式 参数测定 非线性数学模型 城市排水
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Optimization Parameter of Transformation of Parallel Translation for Ship Pitch Simulation
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作者 SHEN Ji-hongCollege of Science, Harbin Engineering University, Harbin 150001, China 《哈尔滨工程大学学报(英文版)》 2002年第2期33-36,共4页
The transformation of parallel translation can improve the smoothness of discrete series sometimes. In this paper, for ship pitch, a method to modify the system error is proposed via the transformation of parallel tra... The transformation of parallel translation can improve the smoothness of discrete series sometimes. In this paper, for ship pitch, a method to modify the system error is proposed via the transformation of parallel translation, which can give the optimize parameters using the Method of Minimum Squares. The series in the method can fit white exponential law better, and then be applied in GM (1,1) very well. The numerical experiments imply that the method is practical, which make the ship pitch system model more accurate than GM ( 1,1 ). 展开更多
关键词 wite EXPONENTIAL law the determination of parameters transformation of PARALLEL TRANSLATION numerical computation SHIP PITCH simulation.
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Parameter calculation and result storage for phase-field simulation in α-Mg dendrite growth of Mg-5-wt% Zn alloy
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作者 陈伟鹏 侯华 +2 位作者 张云涛 柳伟 赵宇宏 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第11期616-622,共7页
Parameter calculation and result storage, as two necessary steps in phase-field simulation play an important role in ensuring the accuracy of simulation results. A strategy of parameter calculation and result storage ... Parameter calculation and result storage, as two necessary steps in phase-field simulation play an important role in ensuring the accuracy of simulation results. A strategy of parameter calculation and result storage is presented for phase-field simulation in α-Mg dendrite growth of Mg-5-wt% Zn alloy under isothermal solidification. Based on the phase diagram and empirical formulas, key parameters of the phase-field model, such as equilibrium partition coefficient k, liquidus slope m, solutal diffusion coefficient in liquid Dl, and solutal diffusion coefficient in solid Ds, can be obtained.Both structured grid method and structured point method can be used to store simulation results, but using the latter method will reduce about 60% storage space and 37.5% storage time compared with the former. Finally, convergent simulation results of α-Mg dendrite growth are obtained and they are in good agreement with the experimental results about optical micrograph, which verify the accuracy of parameters and stability of storage method. 展开更多
关键词 parameter calculation result storage phase-field method dendrite growth
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DSAS:A new macromolecular substructure solution program based on the modified phase-retrieval algorithm
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作者 付兴科 谭振希 +2 位作者 耿直 刘茜 丁玮 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第5期125-132,共8页
Considering the pivotal role of single-wavelength anomalous diffraction(SAD) in macromolecular crystallography,our objective was to introduce DSAS,a novel program designed for efficient anomalous scattering substructu... Considering the pivotal role of single-wavelength anomalous diffraction(SAD) in macromolecular crystallography,our objective was to introduce DSAS,a novel program designed for efficient anomalous scattering substructure determination.DSAS stands out with its core components:a modified phase-retrieval algorithm and automated parameter tuning.The software boasts an intuitive graphical user interface(GUI),facilitating seamless input of essential data and real-time monitoring.Extensive testing on DSAS has involved diverse datasets,encompassing proteins,nucleic acids,and various anomalous scatters such as sulfur(S),selenium(Se),metals,and halogens.The results confirm DSAS’s exceptional performance in accurately determining heavy atom positions,making it a highly effective tool in the field. 展开更多
关键词 DSAS single-wavelength anomalous diffraction automated parameters settings phase-retrieval algorithm substructure determination
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