Search results for: molecular simulation

Authors: Yanru Wu, Qing Sun

Abstract:

Sightseeing glass bridges located in steep valley area are being built on a large scale owing to the development of tourism. Consequently, their aerostatic stability is seriously affected by the wind field characteristics created by strong wind and special terrain, such as wind speed and wind attack angle. For instance, a cable-stayed pedestrian bridge without backstays comprised of a 60-m cantilever girder and the glass bridge deck is located in an abrupt valley, acting as a viewing platform. The bridge’s nonlinear aerostatic stability was analyzed by the segmental model test and numerical simulation in this paper. Based on aerostatic coefficients of the main girder measured in wind tunnel tests, nonlinear influences caused by the structure and aerostatic load, inhomogeneous distribution of torsion angle along the bridge axis, and the influence of initial attack angle were analyzed by using the incremental double iteration method. The results show that the aerostatic response varying with speed shows an obvious nonlinearity, and the aerostatic instability mode is of the characteristic of space deformation of bending-twisting coupling mode. The vertical and torsional deformation of the main girder is larger than its lateral deformation, with the wind speed approaching the critical wind speed. The flow of negative attack angle will reduce the bridges’ critical stability wind speed, but the influence of the negative attack angle on the aerostatic stability is more significant than that of the positive attack angle. The critical wind speeds of torsional divergence and lateral buckling are both larger than 200 m/s; namely, the bridge will not occur aerostatic instability under the action of various wind attack angles.

Keywords: Aerostatic nonlinearity, cable-stayed pedestrian bridge, numerical simulation, nonlinear aerostatic stability.

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Authors: Chyn Liaw, Chun-Wei Tung, Shinn-Jang Ho, Shinn-Ying Ho

Abstract:

The γ-turns play important roles in protein folding and molecular recognition. The prediction and analysis of γ-turn types are important for both protein structure predictions and better understanding the characteristics of different γ-turn types. This study proposed a physicochemical property-based decision tree (PPDT) method to interpretably predict γ-turn types. In addition to the good prediction performance of PPDT, three simple and human interpretable IF-THEN rules are extracted from the decision tree constructed by PPDT. The identified informative physicochemical properties and concise rules provide a simple way for discriminating and understanding γ-turn types.

Keywords: Classification and regression tree (CART), γ-turn, Physicochemical properties, Protein secondary structure.

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Authors: Abdurahman H. Nour, Rosli M. Yunus, Azhary. H. Nour

Abstract:

The mechanism of microwave heating is essentially that of dielectric heating. After exposing the emulsion to the microwave Electromagnetic (EM) field, molecular rotation and ionic conduction due to the penetration of (EM) into the emulsion are responsible for the internal heating. To determine the capability of microwave technology in demulsification of crude oil emulsions, microwave demulsification method was applied in a 50-50 % and 20- 80 % water-in-oil emulsions with microwave exposure time varied from 20-180 sec. Transient temperature profiles of water-in-oil emulsions inside a cylindrical container were measured. The temperature rise at a given location was almost horizontal (linear). The average rates of temperature increase of 50-50 % and 20-80 % water-in-oil emulsions are 0.351 and 0.437 oC/sec, respectively. The rate of temperature increase of emulsions decreased at higher temperature due to decreasing dielectric loss of water. These results indicate that microwave demulsification of water-in-oil emulsions does not require chemical additions. Microwave has the potential to be used as an alternative way in the demulsification process.

Keywords: Demulsification, temperature profile, emulsion.Microwave heating, dielectric, volume rate.

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Authors: Muniyandy Elangovan

Abstract:

Wave generation methodology has been developed and validated by simulating wave in CFD. In this analysis, Flap type wave maker has been modeled numerically with wave basin to generate waves for marine experimental analysis. Irregular waves are arrived from the wave spectrum, and this wave has been simulated in CFD. Generated irregular wave has been compared with an analytical wave. Simulated wave has been processed for FFT analysis, and the wave spectrum is validated with original wave spectrum.

Keywords: Numerical wave tank, irregular wave, FFT, wavespectrum

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Authors: Daniel Zammit, Cyril Spiteri Staines, Maurice Apap

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This paper presents a study on Proportional Resonant (PR) current control with additional PR harmonic compensators for Grid Connected Photovoltaic (PV) Inverters. Both simulation and experimental results will be presented. Testing was carried out on a 3kW Grid-Connected PV Inverter which was designed and constructed for this research.

Keywords: Inverters, Proportional-Resonant Controllers, Harmonic Compensation, Photovoltaic.

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Authors: H. Zormati, J. Chebil, J. Bel Hadj Taher

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The goal of this paper is to present an addressing scheme that allows for assigning a unique IPv6 address to each node in the Internet of Things (IoT) network. This scheme guarantees uniqueness by extracting the clock skew of each communication device and converting it into an IPv6 address. Simulation analysis confirms that the presented scheme provides reductions in terms of energy consumption, communication overhead and response time as compared to four studied addressing schemes Strong DAD, LEADS, SIPA and CLOSA.

Keywords: Addressing, IoT, IPv6, network, nodes.

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Authors: Arpita Soni, Sapna Mittal

Abstract:

Austenite and Martensite indicate the phases of solids undergoing phase transformation which we usually associate with materials and not with living organisms. This article provides an overview of bacterial proteins and structures that are undergoing phase transformation and suggests its probable effect on mechanical behavior. The context is mainly within the role of phase transformations occurring in the flagellum of bacteria. The current knowledge of molecular mechanism leading to phase variation in living organisms is reviewed. Since in bacteria, each flagellum is driven by a separate motor, similarity to a Differential drive in case of four-wheeled vehicles is suggested. It also suggests the application of the mechanism in which bacteria changes its direction of movement to facilitate single point turning of a multi-wheeled vehicle. Finally, examples are presented to illustrate that the motion due to phase transformation of flagella in bacteria can start a whole new research on motion mechanisms.

Keywords: Flagella, Phase Transformation, Nanobots, Differential Drive, Single point turn, Biomimetics

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Authors: Luciana Montera

Abstract:

DNA shuffling is a powerful method used for in vitro evolute molecules with specific functions and has application in areas such as, for example, pharmaceutical, medical and agricultural research. The success of such experiments is dependent on a variety of parameters and conditions that, sometimes, can not be properly pre-established. Here, two computational models predicting DNA shuffling results is presented and their use and results are evaluated against an empirical experiment. The in silico and in vitro results show agreement indicating the importance of these two models and motivating the study and development of new models.

Keywords: Computer simulation, DNA shuffling, in silico andin vitro comparison.

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Authors: Bilal Barakeh

Abstract:

In this paper we discuss the effect of unbounded particle interaction operator on particle growth and we study how this can address the choice of appropriate time steps of the numerical simulation. We provide also rigorous mathematical proofs showing that large particles become dominating with increasing time while small particles contribute negligibly. Second, we discuss the efficiency of the algorithm by performing numerical simulations tests and by comparing the simulated solutions with some known analytic solutions to the Smoluchowski equation.

Keywords: Stochastic processes, coagulation of particles, numerical scheme.

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Authors: S. Gupta, R. Chadha

Abstract:

Five crystal modifications of water insoluble artesunate were generated by recrystallizing it from various solvents with improved physicochemical properties. These generated crystal forms were characterized to select the most potent and soluble form. SEM of all the forms showed changes in external shape leading them to be different morphologically. DSC thermograms of Form III and Form V showed broad endotherm peaks at 83.04oC and 76.96oC prior to melting fusion of drug respectively. Calculated weight loss in TGA revealed that Form III and Form V are methanol and acetone solvates respectively. However, few additional peaks were appeared in XRPD pattern in these two solvate forms. All forms exhibit exothermic behavior in buffer and two solvates display maximum ease of molecular release from the lattice. Methanol and acetone solvates were found to be most soluble forms and exhibited higher antimalarial efficacy showing higher survival rate (83.3%) after 30 days.

Keywords: Artesunate, Crystal modifications, in vivo studies, Recrystallization.

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Authors: Mounir Frikha, Michael Meincke, Semia Barouni

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This paper proposes a vehicle-to-vehicle propagation model implemented with SDL. To estimate the channel characteristics for Inter-Vehicle communication, we first define a predicted propagation pathloss between the moving vehicles under three typical scenarios. A Ray-tracing method is used for the simple gamma model performance.

Keywords: Inter-vehicle communication (IVC), propagationmodel, road traffic, road vicinity, pathloss.

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Authors: Gilberto Gonzalez-A, Octavio Barriga

Abstract:

A bond graph model of a hydroelectric plant is proposed. In order to analyze the system some structural properties of a bond graph are used. The structural controllability of the hydroelctric plant is described. Also, the steady state of the state variables applying the bond graph in a derivative causality assignment is obtained. Finally, simulation results of the system are shown.

Keywords: Bond graph, hydraulic plant, steady state.

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Authors: M. R. Naghavi, S. Rashidi Monfared, A. H. Ahkami, M. A. Ombidbakhsh

Abstract:

Knowledge of patterns of genetic diversity enhances the efficiency of germplasm conservation and improvement. In this study 96 Iranian landraces of Triticum turgidum originating from different geographical areas of Iran, along with 18 durum cultivars from ten countries were evaluated for variation in morphological and high molecular weight glutenin subunit (HMW-GS) composition. The first two principal components clearly separated the Iranian landraces from cultivars. Three alleles were present at the Glu-A1 locus and 11 alleles at Glu-B1. In both cultivars and landraces of durum wheat, the null allele (Glu-A1c) was observed more frequently than the Glu-A1a and Glu-A1b alleles. Two alleles, namely Glu-B1a (subunit 7) and Glu-B1e (subunit 20) represented the more frequent alleles at Glu-B1 locus. The results showed that the evaluated Iranian landraces formed an interesting source of favourable glutenin subunits that might be very desirable in breeding activities for improving pasta-making quality.

Keywords: Triticum turgidum var. durum, glutenin subunits, morphological characters.

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Authors: Heiko Weiß, Andreas Meister, Christoph Ament, Nils Dreifke

Abstract:

Linear actuators are deployed in a wide range of applications. This paper presents the modeling and system identification of a variable excited linear direct drive (LDD). The LDD is designed based on linear hybrid stepper technology exhibiting the characteristic tooth structure of mover and stator. A three-phase topology provides the thrust force caused by alternating strengthening and weakening of the flux of the legs. To achieve best possible synchronous operation, the phases are commutated sinusoidal. Despite the fact that these LDDs provide high dynamics and drive forces, noise emission limits their operation in calm workspaces. To overcome this drawback an additional excitation of the magnetic circuit is introduced to LDD using additional enabling coils instead of permanent magnets. The new degree of freedom can be used to reduce force variations and related noise by varying the excitation flux that is usually generated by permanent magnets. Hence, an identified simulation model is necessary to analyze the effects of this modification. Especially the force variations must be modeled well in order to reduce them sufficiently. The model can be divided into three parts: the current dynamics, the mechanics and the force functions. These subsystems are described with differential equations or nonlinear analytic functions, respectively. Ordinary nonlinear differential equations are derived and transformed into state space representation. Experiments have been carried out on a test rig to identify the system parameters of the complete model. Static and dynamic simulation based optimizations are utilized for identification. The results are verified in time and frequency domain. Finally, the identified model provides a basis for later design of control strategies to reduce existing force variations.

Keywords: Force variations, linear direct drive, modeling and system identification, variable excitation flux.

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Authors: D. Almazo, C. Rodríguez, M. Toledo

Abstract:

This work presents a methodology for the selection and design of propeller oriented to the experimental verification of theoretical results. The problem of propeller selection and design usually present itself in the following manner: a certain air volume and static pressure are required for a certain system. Once the necessity of fan design on a theoretical basis has been recognized, it is possible to determinate the dimensions for a fan unit so that it will perform in accordance with a certain set of specifications. The same procedures in this work then can be applied in other propeller selection.

Keywords: airfoil, axial flow, blade, fan, hub, mathematical algorithm, propeller design, simulation, wheel.

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Authors: E. Farshidi

Abstract:

This paper presents a new general technique for analysis of noise in static log-domain translinear circuits. It is demonstrated that employing this technique, leads to a general, simple and routine method of the noise analysis. The circuit has been simulated by HSPICE. The simulation results are seen to conform to the theoretical analysis and shows benefits of the proposed circuit.

Keywords: Noise analysis, log-domain, static, dynamic, translinear loop, companding.

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Authors: Xun Liang

Abstract:

In this paper, we probe into the traffic assignment problem by the chromosome-learning-based path finding method in simulation, which is to model the driver' behavior in the with-in-a-day process. By simply making a combination and a change of the traffic route chromosomes, the driver at the intersection chooses his next route. The various crossover and mutation rules are proposed with extensive examples.

Keywords: Chromosome learning, crossover, mutation, traffic path finding.

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Authors: M. R. Rouhi, S. Shafiei, A. Taghavipour, H. Adibi-Asl, A. Doosthoseini

Abstract:

This research targets at alleviating the problem of range anxiety associated with the battery electric vehicles (BEVs) by considering mechanical and control aspects of the powertrain. In this way, all the energy consuming components and their effect on reducing the range of the BEV and battery life index are identified. On the other hand, an appropriate control strategy is designed to guarantee the performance of the BEV and the extended electric range which is evaluated by an extensive simulation procedure and a real-world driving schedule.

Keywords: Battery, electric vehicles EV, ultra-capacitor.

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Authors: S. Farag, A. Kupeman

Abstract:

In this paper, design of solid-state battery/supercapacitor emulator based on dc-dc boost converter is described. The emulator mimics charging behavior of any storage device based on a predefined behavior set by the user. The device is operated by a two-level control structure: high-level emulating controller and low- level input voltage controller. Simulation and experimental results are shown to demonstrate the emulator operation.

Keywords: Battery, Charger, Energy, Storage, Supercapacitor.

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Authors: J. Mohan, S. Maheshwari

Abstract:

A new circuit topology realizing a first-order currentmode all-pass filter is proposed using two dual-output second generation current conveyor and two passive components. The circuit possesses low-input and high-output impedance, which makes it ideal for current-mode systems. The proposed circuit is verified through PSPICE simulation results.

Keywords: active filter, all-pass filter, current-mode, current conveyor.

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Authors: H. M. Wilhelm, P. O. Fernandes, L. P. Dill, C. Steffens, K. G. Moscon, S. M. Peres, V. Bender, T. Marchesan, J. B. Ferreira Neto

Abstract:

Deterioration of insulating oil is a natural process that occurs during transformers operation. However, this process can be accelerated by some factors, such as oxygen, high temperatures, metals and, moisture, which rapidly reduce oil insulating capacity and favor transformer faults. Parts of building materials of a transformer can be degraded and yield soluble compounds and insoluble particles that shorten the equipment life. Physicochemical tests, dissolved gas analysis (including propane, propylene and, butane), volatile and furanic compounds determination, besides quantitative and morphological analyses of particulate are proposed in this study in order to correlate transformers building materials degradation with insulating oil characteristics. The present investigation involves tests of medium temperature overheating simulation by means of an electric resistance wrapped with the following materials immersed in mineral insulating oil: test I) copper, tin, lead and, paper (heated at 350-400 °C for 8 h); test II) only copper (at 250 °C for 11 h); and test III) only paper (at 250 °C for 8 h and at 350 °C for 8 h). A different experiment is the simulation of electric arc involving copper, using an electric welding machine at two distinct energy sets (low and high). Analysis results showed that dielectric loss was higher in the sample of test I, higher neutralization index and higher values of hydrogen and hydrocarbons, including propane and butane, were also observed. Test III oil presented higher particle count, in addition, ferrographic analysis revealed contamination with fibers and carbonized paper. However, these particles had little influence on the oil physicochemical parameters (dielectric loss and neutralization index) and on the gas production, which was very low. Test II oil showed high levels of methane, ethane, and propylene, indicating the effect of metal on oil degradation. CO₂ and CO gases were formed in the highest concentration in test III, as expected. Regarding volatile compounds, in test I acetone, benzene and toluene were detected, which are oil oxidation products. Regarding test III, methanol was identified due to cellulose degradation, as expected. Electric arc simulation test showed the highest oil oxidation in presence of copper and at high temperature, since these samples had huge concentration of hydrogen, ethylene, and acetylene. Particle count was also very high, showing the highest release of copper in such conditions. When comparing high and low energy, the first presented more hydrogen, ethylene, and acetylene. This sample had more similar results to test I, pointing out that the generation of different particles can be the cause for faults such as electric arc. Ferrography showed more evident copper and exfoliation particles than in other samples. Therefore, in this study, by using different combined analytical techniques, it was possible to correlate insulating oil characteristics with possible contaminants, which can lead to transformers failure.

Keywords: Ferrography, gas analysis, insulating mineral oil, particle contamination, transformer failures.

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Authors: Y. Shpungin

Abstract:

Estimating the lifetime distribution of computer networks in which nodes and links exist in time and are bound for failure is very useful in various applications. This problem is known to be NP-hard. In this paper we present efficient combinatorial approaches to Monte Carlo estimation of network lifetime distribution. We also present some simulation results.

Keywords: Combinatorial spectrum, Monte Carlo, Networklifetime, Unreliable nodes and edges.

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Authors: B. Tosh, C. R. Routray

Abstract:

Homogeneous graft copolymerization of methyl methacrylate (MMA) onto cellulose was carried out in N, N – dimethyl acetamide/LiCl (DMAc/LiCl) and dimethyl sulfoxide/ paraformaldehyde (DMSO/PF) solvent system taking ceric ammonium nitrate (CAN), benzoyl peroxide (BPO) and tin (II)-2-ethyl hexanoate [Sn(Oct)2] as initiators. Different grafting parameters like graft yield (GY), grafting efficiency (GE) and total conversion of monomer to polymer (TC) were evaluated at different reaction conditions of temperature, time, and variation of the amount of monomer and initiator. The viscosity average molecular weight of grafted PMMA and number of grafts per cellulose chain were also calculated. The products were characterized by FT-IR and 1H-NMR analyses and possible reaction mechanisms were deduced. Thermal degradation of the grafted products was also studied by thermo-gravimetric analysis (TG) and differential thermo-gravimetry (DTG).

Keywords: Grafting, grafting efficiency, homogeneous medium, methyl methacrylate.

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Authors: Stéphanie Pellerin, Bérengére Podvin, Luc Pastur

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In aerovehicles context, the flow around an Ahmed body profile is simulated using the velocity-vorticity formulation of the Navier-Stokes equations, associated to a penalization method for solids and Large Eddy Simulation for turbulence. The study focuses both on the ground influence on the flow and on the dissymetry of the wake, observed for a ground clearance greater than 10% of the body height H. Unsteady and mean flows are presented and analyzed. POD study completes the analysis and gives information on the most energetic structures of the flow.

Keywords: Ahmed body, bi-stability, LES, near wake.

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Authors: Francois T. Pronk, Steven J. Hulshoff

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A study of various turbulent inflow generation methods was performed to compare their relative effectiveness for LES computations of turbulent boundary layers. This study confirmed the quality of the turbulent information produced by the family of recycling and rescaling methods which take information from within the computational domain. Furthermore, more general inflow methods also proved applicable to such simulations, with a precursor-like inflow and a random inflow augmented with forcing planes showing promising results.

Keywords: Boundary layer, Flat plate, Inflow modeling, LES

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Authors: JiEun Jeong, Dong Hyun Kim, Bharat Bhusan Patnaik, Se Won Kang, HeeJu Hwang, Yong Hun Jo, Dae-Hyun Seog, YeonSooHan, Yong Seok Lee

Abstract:

An expressed sequence tag (EST) analysis provideus portions of expressed genes. We have constructed cDNA library and determined randomly sequences from cDNA library clones of T. molitor injected with acholeplasma lysate. We identified the homologous to a galectin gene. As the result of cloning and characterization of novel, we found that the protein has an open reading frame (ORF) of 495 bp, with 164 amino acid residues and molecular weight of 18.5 kDa. To characterize the role of novel Tm-galectin in immune system, we quantified the mRNA level of galectin at different times after treatment with immune elicitors. The galectin mRNA was up-regulated about 7-folds within 18 hrs. This suggests that Tm-galectin is a novel member of animal lectins, and has a role in the process of pathogen recognition. Our study would be helpful for the study on immune defense system and signaling cascade.

Keywords: EST, Innate immunity, Tenebrio molitor, Galectin.

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Authors: Lenka Krulikovská, Jaroslav Polec, Tomáš Hirner

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In this paper we present a novel method, which reduces the computational complexity of abrupt cut detection. We have proposed fast algorithm, where the similarity of frames within defined step is evaluated instead of comparing successive frames. Based on the results of simulation on large video collection, the proposed fast algorithm is able to achieve 80% reduction of needed frames comparisons compared to actually used methods without the shot cut detection accuracy degradation.

Keywords: Abrupt cut, fast algorithm, shot cut detection, Pearson correlation coefficient.

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Authors: C. B. Masera, M. Imprialou, L. Budd, C. Morton

Abstract:

Even though signalised intersections are necessary for urban road traffic management, they can act as bottlenecks and disrupt traffic operations. Interrupted traffic flow causes congestion, delays, stop-and-go conditions (i.e. excessive acceleration/deceleration) and longer journey times. Vehicle and infrastructure connectivity offers the potential to provide improved new services with additional functions of assisting drivers. This paper focuses on one of the applications of vehicle-to-infrastructure communication namely Green Light Optimal Speed Advisory (GLOSA). To assess the effectiveness of GLOSA in the urban road network, an integrated microscopic traffic simulation framework is built into VISSIM software. Vehicle movements and vehicle-infrastructure communications are simulated through the interface of External Driver Model. A control algorithm is developed for recommending an optimal speed that is continuously updated in every time step for all vehicles approaching a signal-controlled point. This algorithm allows vehicles to pass a traffic signal without stopping or to minimise stopping times at a red phase. This study is performed with all connected vehicles at 100% penetration rate. Conventional vehicles are also simulated in the same network as a reference. A straight road segment composed of two opposite directions with two traffic lights per lane is studied. The simulation is implemented under 150 vehicles per hour and 200 per hour traffic volume conditions to identify how different traffic densities influence the benefits of GLOSA. The results indicate that traffic flow is improved by the application of GLOSA. According to this study, vehicles passed through the traffic lights more smoothly, and waiting times were reduced by up to 28 seconds. Average delays decreased for the entire network by 86.46% and 83.84% under traffic densities of 150 vehicles per hour per lane and 200 vehicles per hour per lane, respectively.

Keywords: Connected vehicles, GLOSA, intelligent transportation systems, infrastructure-to-vehicle communication.

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Authors: Yong-can Cao, Wei-dong Zhang

Abstract:

To deal with random delays in Networked Control System (NCS), Modified Fuzzy PID Controller is introduced in this paper to implement real-time control adaptively. Via adjusting the control signal dynamically, the system performance is improved. In this paper, the design process and the ultimate simulation results are represented. Finally, examples and corresponding comparisons prove the significance of this method.

Keywords: Fuzzy Control, Networked Control System, PID, Random Delays

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Authors: R. Fan, Q. Wan, H. Chen, Y.L. Liu, Y.P. Liu

Abstract:

This paper considers a robust recovery of sparse frequencies from partial phase-only measurements. With the proposed method, sparse frequencies can be reconstructed, which makes full use of the sparse distribution in the Fourier representation of the complex-valued time signal. Simulation experiments illustrate the proposed method-s advantages over conventional methods in both noiseless and additive white Gaussian noise cases.

Keywords: Sparse signal recovery, phase-only measurements, Compressive sensing, convex relaxation.

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