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Analysis of coordinate time series of DORIS stations on Eurasian plate and the plate motion based on SSA and FFT 被引量:1
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作者 Qiaoli Kong Linggang Zhang +3 位作者 Jingwei Han Changsong Li Wenhao Fang Tianfa Wang 《Geodesy and Geodynamics》 CSCD 2023年第1期90-97,共8页
This study focuses on analyzing the time series of DORIS beacon stations and plate motion of the Eurasian plate by applying Singular Spectrum Analysis(SSA)and Fast Fourier Transform(FFT).First,the rend terms and perio... This study focuses on analyzing the time series of DORIS beacon stations and plate motion of the Eurasian plate by applying Singular Spectrum Analysis(SSA)and Fast Fourier Transform(FFT).First,the rend terms and periodic signals are accurately separated by SSA,then,the periodic seasonal signals are detected using SSA,and finally,the main components of the time series are reconstructed successfully.The test results show that the nonlinear trends and seasonal signals of DORIS stations are detected successfully.The periods of the seasonal signals detected are year,half-year,and 59 days,etc.The contribution rates and slopes in E,N,and U directions of the trend items of each beacon station after reconstruction are obtained by least-square fitting.The velocities of these stations are compared with those provided by the GEODVEL2010 model,and it is found that they are in good agreement except the DIOB,MANB,and PDMB stations.Based on the DORIS coordinate time series,the velocity field on the Eurasian plate is constructed,and the test shows that the Eurasian plate moves eastward as a whole with an average velocity of 24.19±0.11 mm/y in the horizontal direction,and the average velocity of it is1.74±0.07 mm/y in the vertical direction. 展开更多
关键词 DORIS SSA FFT Coordinate time series Plate motion
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Energy Management of Networked Smart Railway Stations Considering Regenerative Braking, Energy Storage System, and Photovoltaic Units
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作者 Saeed Akbari Seyed Saeed Fazel Hamed Hashemi-Dezaki 《Energy Engineering》 EI 2023年第1期69-86,共18页
The networking of microgrids has received significant attention in the form of a smart grid.In this paper,a set of smart railway stations,which is assumed as microgrids,is connected together.It has been tried to manag... The networking of microgrids has received significant attention in the form of a smart grid.In this paper,a set of smart railway stations,which is assumed as microgrids,is connected together.It has been tried to manage the energy exchanged between the networked microgrids to reduce received energy from the utility grid.Also,the operational costs of stations under various conditions decrease by applying the proposed method.The smart railway stations are studied in the presence of photovoltaic(PV)units,energy storage systems(ESSs),and regenerative braking strategies.Studying regenerative braking is one of the essential contributions.Moreover,the stochastic behaviors of the ESS’s initial state of energy and the uncertainty of PV power generation are taken into account through a scenario-based method.The networked microgrid scheme of railway stations(based on coordinated operation and scheduling)and independent operation of railway stations are studied.The proposed method is applied to realistic case studies,including three stations of Line 3 of Tehran Urban and Suburban Railway Operation Company(TUSROC).The rolling stock is simulated in the MATLAB environment.Thus,the coordinated operation of networked microgrids and independent operation of railway stations are optimized in the GAMS environment utilizing mixed-integer linear programming(MILP). 展开更多
关键词 Energy management system(EMS) smart railway stations coordinated operation photovoltaic generation regenerative braking uncertainty scenario-based model mixed-integer linear programming(MILP)
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A new method for coseismic offset detection from GPS coordinate time series
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作者 Zhiwei Yang Guangyu Xu +3 位作者 Tengxu Zhang Mingkai Chen FeiWu Zhiping Chen 《Geodesy and Geodynamics》 EI CSCD 2023年第6期551-558,共8页
Currently,the extraction of coseismic offset signals primarily relies on earthquake catalog data to determine the occurrence time of earthquakes.This is followed by the process of differencing the average GPS coordina... Currently,the extraction of coseismic offset signals primarily relies on earthquake catalog data to determine the occurrence time of earthquakes.This is followed by the process of differencing the average GPS coordinate time series data,with a time interval of 3 to 5 days before and after the earthquake.In the face of the huge amount of GPS coordinate time series data today,the conventional approach of relying on earthquake catalog data to assist in obtaining coseismic offset signals has become increasingly burdensome.To address this problem,we propose a new method for automatically detecting coseismic offset signals in GPS coordinate time series without an extra earthquake catalog for reference.Firstly,we pre-process the GPS coordinate time series data for filtering out stations with significant observations missing and detecting and removing outliers.Secondly,we eliminate other signals and errors in the GPS coordinate time series,such as trend and seasonal signals,leaving the coseismic offset signals as the primary signal.The resulting coordinate time series is then modeled using the first-order difference and data stacking method.The modeling method enables automatic detection of the coseismic offset signals in the GPS coordinate time series.The aforementioned method is applied to automatically detect coseismic offset signals using simulated data and the Searles Valley GPS data in California,USA.The results demonstrate the efficacy of our proposed method,successfully detecting coseismic offsets from vast amounts of GPS coordinate time series data. 展开更多
关键词 GPS Coordinate time series Coseismic offset Signal detection
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A Theoretical Study of Tris-(o-benzoquinonediimine)-First-Row Divalent Transition Metal Complexes
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作者 Mohammad Abdul Matin Samiran Bhattacharjee Anwar Hossain 《Advances in Chemical Engineering and Science》 CAS 2023年第2期172-188,共17页
The ligand o-phenylenediamine (opda) and its oxidized form, o-benzoquinonediimine (bqdi), act as a fascinating candidate coordinating toward transition metal ions leading to the photochemical hydrogen production in ab... The ligand o-phenylenediamine (opda) and its oxidized form, o-benzoquinonediimine (bqdi), act as a fascinating candidate coordinating toward transition metal ions leading to the photochemical hydrogen production in absence of photosensitizers. Herein, we report the systematic study of the interaction between the oxidized form bqdi ligand, tris-(o-benzoquinonediimine) with divalent first-row transition metal series using DFT calculations. The lowest energy structures, bond length, binding energies, frontier molecular orbital analysis, natural bond orbitals, and global reactivity descriptor were calculated using B3LYP/6-311G(d,P) level of theory. The time dependent-DFT at the CAM-B3LYP/6-311+G(d,p) level of theory was applied to determine the electronic structures and the optical spectra. The theoretical binding trend of the divalent first-row transition metal series is decreasing as follows: Cu >Ti > V > Co > Ni > Fe > Cr > Zn >Mn. Among them, the binding potency of iron (II) by the bqdi ligand was not predominantly sturdy as compared to other first-row divalent transition metal ions. The origin of strong coordination with Fe(II) is attributed to its extra capability to induce covalent coordination of bqdi ligands. The complex exhibited two strong peaks at 370 nm and 452 nm, due to the HOMO-3 to LUMO+1 and HOMO-1 to LUMO transitions, respectively. Natural bond orbital analysis showed that the major interaction happens between the N lone pair electrons of the ligand with an anti-bonding orbital of metal ions, in which Ti showed the highest interaction energy than other metal ions. The present systemic DFT study of bqdi ligands with the first-row transition metals strongly encourages the future establishment of photochemical hydrogen production in absence of photosensitizers. 展开更多
关键词 DFT O-PHENYLENEDIAMINE o-benzoquinodiimine First-Row Divalent Transition Metals time Dependent–DFT coordination Complexes
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Calculation and Analysis of Switching Overvoltage Front Time and Switching Impulse Insulation Coordination for UHV AC Transmission Line of Chinese Pilot Project and Double-circuit Project 被引量:2
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作者 ZHOU Peihong HE Huiwen 《高电压技术》 EI CAS CSCD 北大核心 2014年第6期1781-1794,共14页
关键词 特高压交流输电 交流输电线路 中国国家标准 操作过电压 软件计算 时间脉冲 试点项目 绝缘配合
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Study of the effects on GPS coordinate time series caused by higher-order ionospheric corrections calculated using the DIPOLE model
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作者 Liansheng Deng Weiping Jiang +2 位作者 Hua Chen Zhaohan Zhu Wen Zhao 《Geodesy and Geodynamics》 2017年第2期111-119,共9页
As one of the main error sources in high-precision Global Positioning System (GPS) data processing, higher-order ionospheric (HOI) delays cause significant effects on coordinate time series that cannot be ignored ... As one of the main error sources in high-precision Global Positioning System (GPS) data processing, higher-order ionospheric (HOI) delays cause significant effects on coordinate time series that cannot be ignored in analyses of long time series. Typically two geomagnetic models, DIPOLE model and Inter- national Geomagnetic Reference Field (IGRF) model, are used for calculating HOI corrections. This paper investigates the effects of HOI correction caused by the DIPOLE model on coordinate time series. GPS data from 104 globally distributed International GNSS Service (IGS) stations spanning from January, 1999 to December, 2003 were reprocessed following up-to-date processing strategies utilizing GAMIT and GLOBK software. Two coordinate time series solutions before and after applying HOI corrections using the DIPOLE model were derived for studying the effects in terms of seasonal variations and noise amplitudes. The results show that after applying the HOI corrections calculated with DIPOLE, the noise amplitudes of the coordinate time series increased, especially in the north and east directions, and the increased amplitudes of the flicker noise were larger than those of the white noise. Furthermore, spurious periodic signals that were probably introduced by the HOI corrections from the DIPOLE model were also found. Moreover, an apparent increase was confirmed for the power spectra of most of the stations, especially in the north direction, and the amplitudes of both the annual and semi-annual signals also increased in the north and east directions. It can be inferred that the quality of the external data sources such as the geomagnetic model might be the key factors that lead to the above results. The results also suggest that we should be very careful when the DIPOLE model is used for HOI corrections. 展开更多
关键词 FHigher-order ionospheric corrections Coordinate time series Periodic characteristics Noise amplitudes
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Investigation of Braking Timing of Drivers for Design of Pedestrian Collision Avoidance System
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作者 Keisuke Suzuki Takuya Kakihara Yasutoshi Horii 《Journal of Mechanics Engineering and Automation》 2016年第3期118-127,共10页
The braking behavior of drivers when a pedestrian comes out from the sidewalk to the road was analyzed using a driving simulator. Based on drivers' braking behavior, the braking control timing of the system for avoid... The braking behavior of drivers when a pedestrian comes out from the sidewalk to the road was analyzed using a driving simulator. Based on drivers' braking behavior, the braking control timing of the system for avoiding the collision with pedestrians was proposed. In this study, the subject drivers started braking at almost the same time in terms of TTC (Time to Collision), regardless of the velocity of a subject vehicle and crossing velocity of pedestrians. This experimental result showed that brake timing of the system which can minimize the interference for braking between drivers and the system is 1.3 s of TTC. Next, the drivers' braking behavior was investigated when the system controlled braking to avoid collision at this timing. As a result, drivers did not show any change of braking behavior with no excessive interference between braking control by the system and braking operation by drivers for avoiding collisions with pedestrians which is equivalent to the excessive dependence on the system. 展开更多
关键词 Active safety collision avoidance PEDESTRIAN brake timing TTC driving simulator.
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H_∞ fault estimation for a class of linear time-delay systems in finite frequency domain
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作者 Quanchao Dong Maiying Zhong Steven X. Ding 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2010年第5期835-841,共7页
This paper deals with the problem of H∞ fault estimation for linear time-delay systems in finite frequency domain.First a generalized coordinate change is applied to the original system such that in the new coordinat... This paper deals with the problem of H∞ fault estimation for linear time-delay systems in finite frequency domain.First a generalized coordinate change is applied to the original system such that in the new coordinates all the time-delay terms are injected by the system's input and output.Then an observer-based H∞ fault estimator with input and output injections is proposed for fault estimation with known frequency range.With the aid of Generalized Kalman-Yakubovich-Popov lemma,sufficient conditions on the existence of the H∞ fault estimator are derived and a solution to the observer gain matrices is obtained by solving a set of linear matrix inequalities.Finally,a numerical example is given to illustrate the effectiveness of the proposed method. 展开更多
关键词 fault estimation time-DELAY generalized coordinate change generalized Kalman-Yakubovich-Popov lemma finite frequency domain.
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Effect of solid-earth-tide on GPS time series 被引量:3
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作者 Haitao Yin Jie Li +2 位作者 Pifeng Ma Shipeng Zhang Duan Xu 《Geodesy and Geodynamics》 2010年第1期64-69,共6页
The solid-earth-tide models IERS1992 and IERS2003 are used to analyze some GPS-baseline,vertical-component and zenith-tropospheric-delay data from the Crustal Movement GPS Continuous Observation Net-work of Shandong a... The solid-earth-tide models IERS1992 and IERS2003 are used to analyze some GPS-baseline,vertical-component and zenith-tropospheric-delay data from the Crustal Movement GPS Continuous Observation Net-work of Shandong and IGS stations. The results show that the differences between the baselines computed with the different models are at sub-millimeter level, and the differences in vertical component is direct proportional to station latitude. Also the amplitude of ZTD differences is about 0. 6-1.0 mm, which is 6% -8% of the amplitude of solid-earth-tide differences. Although these effects are quite small, to analyze non-tidal deformation correctly, we should still use a single standard for processing GPS data. 展开更多
关键词 IERS solid-earth tide GPS coordinate time series AMPLITUDE
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Supply Coordination Based on Bonus Policy in Assembly under Uncertain Delivery Time 被引量:1
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作者 LI Guo LIU Mengqi +1 位作者 WANG Zhaohua PENG Bingzong 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2013年第2期293-303,共11页
The existing research of supply coordination under uncertain delivery time mainly focuses on the collaboration between the supplier and the manufacturer, which aim at minimizing the total cost of each side and finding... The existing research of supply coordination under uncertain delivery time mainly focuses on the collaboration between the supplier and the manufacturer, which aim at minimizing the total cost of each side and finding comparative optimal solutions under decentralized decision. In the supply coordination, the collaboration between suppliers in assembly system is usually not considered. As a result, the manufacturer’s production is often delayed due to mismatching delivery of components between suppliers. Therefore, to ensure supply coordination in assembly system, collaboration between suppliers should be taken into consideration. In this paper, an assembly system with two suppliers and one manufacturer under uncertain delivery time is considered. The model is established and optimal solution is given under decentralized decision. Furthermore, the cost functions of two suppliers are both convex, and a unique Nash equilibrium exists between two suppliers. Then the optimal decision under supply coordination is analyzed, which is regarded as a benchmark for supply coordination. Additionally, the total cost of the assembly system is jointly convex in agreed delivery time. To achieve supply coordination a bonus policy is explored in the assembly system under uncertain delivery time, and the total cost under bonus policy must be lower than under decentralized decision. Finally the numerical and sensitivity analysis shows the cost of assembly system under bonus policy equals that under supply coordination, and the cost of each side in assembly system under bonus policy is lower compared to that under decentralized decision. The proposed research minimizes the total cost of each side with bonus policy in assembly system, ensures the supply coordination between suppliers and the manufacturer, and improves the competiveness of the whole supply chain. 展开更多
关键词 supply coordination bonus policy assembly system uncertain delivery time
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Quasi-real time inversion method of three-dimensional epicenter coordinate, trigger time, and magnitude based on CORS 被引量:1
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作者 Xiao Dongsheng Chang Ming +2 位作者 Su Yong Hu Qijun Yu Bing 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2016年第3期425-433,共9页
This study explores the quasi-real time inversion principle and precision estimation of three-dimensional coordinates of the epicenter, trigger time and magnitude of earthquakes with the aim to improve traditional met... This study explores the quasi-real time inversion principle and precision estimation of three-dimensional coordinates of the epicenter, trigger time and magnitude of earthquakes with the aim to improve traditional methods, which are flawed due to missing information or distortion in the seismograph records. The epicenter, trigger time and magnitude from the Lushan earthquake are inverted and analyzed based on high-frequency GNSS data. The inversion results achieved a high precision, which are consistent with the data published by the China Earthquake Administration. Moreover, it has been proven that the inversion method has good theoretical value and excellent application prospects. 展开更多
关键词 continuous operation reference station (CORS) trigger time three dimensional coordinate MAGNITUDE inversion
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Adaptive sliding mode control of modular self-reconfigurable spacecraft with time-delay estimation 被引量:1
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作者 Xin-hong Li Zhi-bin Zhang +4 位作者 Ji-ping An Xin Zhou Gang-xuan Hu Guo-hui Zhang Wan-xin Man 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2022年第12期2170-2180,共11页
The reconstruction control of modular self-reconfigurable spacecraft (MSRS) is addressed using an adaptive sliding mode control (ASMC) scheme based on time-delay estimation (TDE) technology. In contrast to the ground,... The reconstruction control of modular self-reconfigurable spacecraft (MSRS) is addressed using an adaptive sliding mode control (ASMC) scheme based on time-delay estimation (TDE) technology. In contrast to the ground, the base of the MSRS is floating when assembled in orbit, resulting in a strong dynamic coupling effect. A TED-based ASMC technique with exponential reaching law is designed to achieve high-precision coordinated control between the spacecraft base and the robotic arm. TDE technology is used by the controller to compensate for coupling terms and uncertainties, while ASMC can augment and improve TDE’s robustness. To suppress TDE errors and eliminate chattering, a new adaptive law is created to modify gain parameters online, ensuring quick dynamic response and high tracking accuracy. The Lyapunov approach shows that the tracking errors are uniformly ultimately bounded (UUB). Finally, the on-orbit assembly process of MSRS is simulated to validate the efficacy of the proposed control scheme. The simulation results show that the proposed control method can accurately complete the target module’s on-orbit assembly, with minimal perturbations to the spacecraft’s attitude. Meanwhile, it has a high level of robustness and can effectively eliminate chattering. 展开更多
关键词 Adaptive sliding mode control(ASMC) time delay control time delay estimation Modular self-reconfigurable spacecraft Uncertainty Coordinated control
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Mathematical Models for Combined Refraction-Diffraction of Waves on Non-Uniform Current and Depth 被引量:35
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作者 Hong Guangwen Professor, Research Institute of Coastal and Ocean Engineering, Hohai University, 1 Xikang Road, Nanjing 210024 《China Ocean Engineering》 SCIE EI 1996年第4期433-454,共22页
Two mathematical models for combined refraction-diffraction of regular and irregular waves on non-uniform current in water of slowly varying topography are presented in this paper. Model I is derived by wave theory an... Two mathematical models for combined refraction-diffraction of regular and irregular waves on non-uniform current in water of slowly varying topography are presented in this paper. Model I is derived by wave theory and variational principle separately. It has two kinds of expressions including the dissipation term. Model n is based on the energy conservation equation with energy flux through the wave crest lines in orthogonal curvilinear coordinates and the wave kinematic conservation equation. The analysis and comparison and special cases of these two models are also given. 展开更多
关键词 refraction-diffraction DISSIPATION wave action conservation eikonal equation time-dependent ild slope equation orthogonal curvilinear coordinates
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Finite-time coordination control for formation flying spacecraft 被引量:2
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作者 Yong Guo Shenmin Song Liwei Deng 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2014年第5期859-867,共9页
This paper investigates a distributed coordination control scheme using an adaptive terminal sliding mode for formation flying spacecraft with coupled attitude and translational dynamics. In order to overcome the sing... This paper investigates a distributed coordination control scheme using an adaptive terminal sliding mode for formation flying spacecraft with coupled attitude and translational dynamics. In order to overcome the singularity of the traditional fast terminal sliding manifold, a novel fast terminal sliding manifold is given. And then, based on the adaptive control method, a continuous robust coordinated controller is designed to compensate external disturbances and to alleviate the chattering phenomenon. The theoretical analysis shows that the coordinated controller can guarantee the finite-time stability of the overall closed-loop system through local information exchange, and numerical simulations also demonstrate its effectiveness. 展开更多
关键词 formation flying coordinated control attitude and translational coupling finite-time stability adaptive control.
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An Extension of Contract Net Protocol With Real Time Constraints
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《Wuhan University Journal of Natural Sciences》 CAS 1996年第2期156-162,共7页
The contract net protocol has developed to specify problem solving communication for nodes in a distributed problem solving. Task distribution is affected by a negotiation process,a discussion carried on between node... The contract net protocol has developed to specify problem solving communication for nodes in a distributed problem solving. Task distribution is affected by a negotiation process,a discussion carried on between nodes with tasks to he executed and nodes that may be able to execute those tasks. In contract net protocol,once negotiation successes,tbe task execution is assumed to success. However,in real world,even though a task is awarded to successfully bidding nodes,it may be delayed. Such delay may badly propagate in whole system. Here,we introduce real-time constraints into contract net protocol to manage task execution for avoiding the, task's delay,or even though being delayed,the railure cannot propagate to whole system. In this paper,we first present a real-time contract net protocol which is an extension of contract net protocol with real-time constraints for distributed computing. Our proposition extends the basic negotiation protocol to negotiation and controlling execution or task. The controlling process is based on task deadline time,we also present an extension of the internode language of contract net protocol specification with real-time constraints. 展开更多
关键词 real-time time-out coordination model contract net protocol time delay
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A New Proposal of Inverse-Time Characteristics for Overcurrent Relay Based on Microcomputer 被引量:1
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作者 黄彦全 肖建 +1 位作者 蔡勇 唐磊 《Journal of Southwest Jiaotong University(English Edition)》 2004年第1期25-28,共4页
The conventional time function of electromechanical relays is hard to coordinate with other relays. In order to promote the application of inverse-time overcurrent relays, a new time function for microprocessor-type r... The conventional time function of electromechanical relays is hard to coordinate with other relays. In order to promote the application of inverse-time overcurrent relays, a new time function for microprocessor-type relay is proposed. The setting of the trip time for this relay is performed by determining the shortest trip time and the longest trip time, respectively. The results of analysis show that with the new time function, the inverse-time overcurrent relay is easy to coordinate with other relays and has a comparatively shorter trip time, and that the fault happens in the protective zone. 展开更多
关键词 Dial setting Inverse-time characteristics Overcurrent relays coordination
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The Explanation of the Michelson-Morley Experiment Results by Means Universal Frame of Reference
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作者 Karol Szostek Roman Szostek 《Journal of Modern Physics》 2017年第11期1868-1883,共16页
It is commonly thought that the Michelson-Morley experiment from 1887 and Kennedy-Thorndike experiment from 1932 demonstrated that the universal frame of reference (ether) does not exist and that the velocity of light... It is commonly thought that the Michelson-Morley experiment from 1887 and Kennedy-Thorndike experiment from 1932 demonstrated that the universal frame of reference (ether) does not exist and that the velocity of light in vacuum is absolutely constant. The analysis of this experiment led to the creation of the Special Theory of Relativity (STR). The article explains why Michelson-Morley and Kennedy-Thorndike experiments could not detect the universal frame of reference. In this article, a different transformation of time and position than the Lorentz transformation is derived on the basis of the geometric analysis of the Michelson-Morley and Kennedy-Thorndike experiments. The transformation is derived based on the assumption that the universal frame of reference (UFR) exists. UFR is a frame of reference in which the velocity of light is constant in every direction. In inertial frames of reference moving in the UFR, the velocity of light may be different. The article has derived the formula for relative speed and patterns for the maximum and minimum speed of light that can be measured in the inertial system. Finally, the anisotropy of the microwave background radiation has been explained by using the presented theory. According to the body kinematics model presented in this article, anisotropy of cosmic microwave background is the Doppler effect for observer moving in the UFR. 展开更多
关键词 Kinematics of Bodies UNIVERSAL Frame of Reference COORDINATE and time Transformation One-Way Speed of Light Anisotropy of COSMIC Microwave Background
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An optimal strategy for coordinating and dispatching “source-load” in power system based on multiple time scales
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作者 LIU Yan-feng DONG Hai-ying +1 位作者 WANG Ning-bo MA Ming 《Journal of Measurement Science and Instrumentation》 CAS CSCD 2018年第4期388-396,共9页
Due to the phenomenon of abandoning wind power and photo voltage(PV)power in the“Three Northern Areas”in China,this paper presents an optimal strategy for coordinating and dispatching“source-load”in power system b... Due to the phenomenon of abandoning wind power and photo voltage(PV)power in the“Three Northern Areas”in China,this paper presents an optimal strategy for coordinating and dispatching“source-load”in power system based on multiple time scales.On the basis of the analysis of the uncertainty of wind power and PV power as well as the characteristics of load side resource dispatching,the optimal model of coordinating and dispatching“source-load”in power system based on multiple time scales is established.It can simultaneously and effectively dispatch conventional generators,wind plant,PV power station,pumped-storage power station and load side resources by optimally using three time scales:day-ahead,intra-day and real-time.According to the latest predicted information of wind power,PV power and load,the original generation schedule can be rolled and amended by using the corresponding time scale.The effectiveness of the model can be verified by a real system.The simulation results show that the proposed model can make full use of“source-load”resources to improve the ability to consume wind power and PV power of the grid-connected system. 展开更多
关键词 multiple time scales "source-load"coordination pumped-storage power station wind plant photovoltaic(PV)power station
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The Effects of Oxidation States and Spin States of Chromium Interaction with <i>Sargassum Sp</i>.: A Spectroscopic and Density Functional Theoretical Study
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作者 Mohammad Abdul Matin Md. Aftab Ali Shaikh +3 位作者 Md. Anwar Hossain Md. Alauddin Tapas Debnath Mohammed Abdul Aziz 《Green and Sustainable Chemistry》 2021年第4期125-141,共17页
The study of various oxidation states of chromium with Sargassum <i>sp</i>. is of particular interest since hexavalent chromium </span><span style="font-size:10.0pt;font-family:""&g... The study of various oxidation states of chromium with Sargassum <i>sp</i>. is of particular interest since hexavalent chromium </span><span style="font-size:10.0pt;font-family:"">is </span><span style="font-size:10.0pt;font-family:"">reduced to trivalent chromium in </span><span style="font-size:10.0pt;font-family:"">an </span><span style="font-size:10.0pt;font-family:"">aqueous solution. In this study, a systematic density functional theory (DFT) calculations were performed to study the interactions of transition metal chromium ion with different oxidation states and spin states with the <i>Sar</i></span><i><span style="font-size:10.0pt;font-family:"">gassum sp</span></i><span style="font-size:10.0pt;font-family:"">. decorated with carboxylate</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(acetate) at the wB97XD/6-311++</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">G(d,p)</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">level of theory. The structures and binding energies of chromium met<span>al</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">carboxylate complexes at various oxidation states and spin states in gas</span><span style="font-size:10.0pt;font-family:""> phase were examined. The coordination strength of Cr(VI) with the acetate <span>ligand was predominantly the strongest compare</span></span><span style="font-size:10.0pt;font-family:"">d</span><span style="font-size:10.0pt;font-family:""> to the other oxidation</span><span style="font-size:10.0pt;font-family:""> states. <span>Vibrational frequency analysis, for the homoleptic monomers of tris</span> <span>[</span><span>Cr<sup>III</sup>(AC)<sub>3</sub>]<sup>0</sup> and </span>[Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes, illustrate good harmony with the experimental and<span> theoretical calculated frequencies. Using the time</span></span><span style="font-size:10.0pt;font-family:"">-</span><span style="font-size:10.0pt;font-family:"">dependent DFT</span><span style="font-size:10.0pt;font-family:""> (TD-DFT) at the level of CAM-B3LYP/6-311++G(d,p), the vertical excitation energies were obtained. The stabilization energies derived using the second order perturbation </span><span style="font-size:10.0pt;font-family:"">theory, <i>E</i><sub>ij</sub><sup>(2)</sup>, of NBO analysis confirmed the greater charge transfer for the</span><span style="font-size:10.0pt;font-family:""> observed trends in the metal binding. The calculated binding </span><span style="font-size:10.0pt;font-family:"">energies</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">(ΔE) and interactions energies </span><span style="font-size:10.0pt;font-family:Symbol;">S</span><i><span style="font-size:10.0pt;font-family:"">E</span></i><sub><span style="font-size:10.0pt;font-family:"">ij</span></sub><sup><span style="font-size:10.0pt;font-family:"">(2)</span></sup><span style="font-size:10.0pt;font-family:""> favor</span><span style="font-size:10.0pt;font-family:""> </span><span style="font-size:10.0pt;font-family:"">the formation of</span><span style="font-size:10.0pt;font-family:""> [Cr<sup>VI</sup>(AC)<sub>3</sub>]<sup>3+</sup> complexes. The findings of this study identify efficient electronic factors as major contributors to the metal binding affinities, with promising possibilities for the design of metal-ligand complexes and sensing of the metal ions. 展开更多
关键词 Transition Metal time Dependent Density Functional theory Binding Energy Spectroscopy Electronic Properties and Homoleptic Coordinated Complex
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Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]<sup>3-</sup>(M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study
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作者 Mohammad A.Matin Md.Abdur Rahman 《Advances in Chemical Engineering and Science》 2019年第4期317-332,共16页
In this study, the first raw transition metals from V to Co complexes with benzene-1,2-dithiolate (L2-) ligand have been studied theoretically to elucidate the geometry, electronic structure and spectroscopic properti... In this study, the first raw transition metals from V to Co complexes with benzene-1,2-dithiolate (L2-) ligand have been studied theoretically to elucidate the geometry, electronic structure and spectroscopic properties of the complexes. Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods have been used. The ground state geometries, binding energies, spectral properties (UV-vis), frontier molecular orbitals (FMOs) analysis, charge analysis and natural bond orbital (NBO) have been investigated. The geometrical parameters are in good agreement with the available experimental data. The metal-ligand binding energies are 1 order of magnitude larger than the physisorption energy of a benzene-1, 2-dthiolate molecule on a metallic surface. The electronic structures of the first raw transition metal series from V to Co have been elucidated by UV-vis spectroscopic using DFT calculations. In accordance with experiment the calculated electronic spectra of these tris complexes show bands at 522, 565, 559, 546 and 863 nm for V3+, Cr3+, Mn3+, Fe3+ and Co3+ respectively which are mainly attributed to ligand to metal charge transfer (LMCT) transitions. The electronic properties analysis shows that the highest occupied molecular orbital (HOMO) is mainly centered on metal coordinated sulfur atoms whereas the lowest unoccupied molecular orbital (LUMO) is mainly located on the metal surface. From calculation of intramolecular interactions and electron delocalization by natural bond orbital (NBO) analysis, the stability of the complexes was estimated. The NBO results showed significant charge transfer from sulfur to central metal ions in the complexes, as well as to the benzene. The calculated charges on metal ions are also reported at various charge schemes. The calculations show encouraging agreement with the available experimental data. 展开更多
关键词 Transition Metal time Dependent Density Functional theory (TD-DFT) Binding Energy Spectroscopy Electronic Properties Tris(Benzene-1 2-Dithiolato) coordination Complex
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