Search results for: MD simulations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1863

Search results for: MD simulations

1323 Numerical Study of the Dynamic Behavior of an Air Conditioning with a Muti Confined Swirling Jet

Authors: Mohamed Roudane

Abstract:

The objective of this study is to know the dynamic behavior of a multi swirling jet used for air conditioning inside a room. To conduct this study, we designed a facility to ensure proper conditions of confinement in which we placed five air blowing devices with adjustable vanes, providing multiple swirling turbulent jets. The jets were issued in the same direction and the same spacing defined between them. This study concerned the numerical simulation of the dynamic mixing of confined swirling multi-jets, and examined the influence of important parameters of a swirl diffuser system on the dynamic performance characteristics. The CFD investigations are carried out by a hybrid mesh to discretize the computational domain. In this work, the simulations have been performed using the finite volume method and FLUENT solver, in which the standard k-ε RNG turbulence model was used for turbulence computations.

Keywords: simulation, dynamic behavior, swirl, turbulent jet

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1322 A Generalization of Option Pricing with Discrete Dividends to Markets with Daily Price Limits

Authors: Jiahau Guo, Yihe Zhang

Abstract:

This paper proposes solutions for pricing options on stocks paying discrete dividends in markets with daily price limits. We first extend the intraday density function of Guo and Chang (2020) to a multi-day one and use the framework of Haug et al. (2003) to value European options on stocks paying discrete dividends. Next, we adopt the fast Fourier transform (FFT) to derive accurate and efficient formulae for American options and further employ the three-point Richardson extrapolation to accelerate the computation. Finally, the accuracy of our proposed methods is verified by simulations.

Keywords: daily price limit, discrete dividend, early exercise, fast Fourier transform, multi-day density function, Richardson extrapolation

Procedia PDF Downloads 142
1321 Mesoporous BiVO4 Thin Films as Efficient Visible Light Driven Photocatalyst

Authors: Karolina Ordon, Sandrine Coste, Malgorzata Makowska-Janusik, Abdelhadi Kassiba

Abstract:

Photocatalytic processes play key role in the production of a new source of energy (as hydrogen), design of self-cleaning surfaces or for the environment preservation. The most challenging task deals with the purification of water distinguished by high efficiency. In the mentioned process, organic pollutants in solutions are decomposed to the simple, non-toxic compounds as H2O and CO2. The most known photocatalytic materials are ZnO, CdS and TiO2 semiconductors with a particular involvement of TiO2 as an efficient photocatalysts even with a high band gap equal to 3.2 eV which exploit only UV radiation from solar emitted spectrum. However, promising material with visible light induced photoactivity was searched through the monoclinic polytype of BiVO4 which has energy gap about 2.4 eV. As required in heterogeneous photocatalysis, the high contact surface is required. Also, BiVO4 as photocatalyst can be optimized by increasing its surface area by achieving the mesoporous structure synthesize. The main goal of the present work consists in the synthesis and characterization of BiVO4 mesoporous thin film. The synthesis method based on sol-gel was carried out using a standard surfactants such as P123 and F127. The thin film was deposited by spin and dip coating method. Then, the structural analysis of the obtained material was performed thanks to X-ray diffraction (XRD) and Raman spectroscopy. The surface of resulting structure was investigated using a scanning electron microscopy (SEM). The computer simulations based on modeling the optical and electronic properties of bulk BiVO4 by using DFT (density functional theory) methodology were carried out. The semiempirical parameterized method PM6 was used to compute the physical properties of BiVO4 nanostructures. The Raman and IR absorption spectra were also measured for synthesized mesoporous material, and the results were compared with the theoretical predictions. The simulations of nanostructured BiVO4 have pointed out the occurrence of quantum confinement for nanosized clusters leading to widening of the band gap. This result overcame the relevance of nanosized objects to harvest wide part of the solar spectrum. Also, a balance was searched experimentally through the mesoporous nature of the films devoted to enhancing the contact surface as required for heterogeneous catalysis without to lower the nanocrystallite size under some critical sizes inducing an increased band gap. The present contribution will discuss the relevant features of the mesoporous films with respect to their photocatalytic responses.

Keywords: bismuth vanadate, photocatalysis, thin film, quantum-chemical calculations

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1320 A Compact Quasi-Zero Stiffness Vibration Isolator Using Flexure-Based Spring Mechanisms Capable of Tunable Stiffness

Authors: Thanh-Phong Dao, Shyh-Chour Huang

Abstract:

This study presents a quasi-zero stiffness (QZS) vibration isolator using flexure-based spring mechanisms which afford both negative and positive stiffness elements, which enable self-adjustment. The QZS property of the isolator is achieved at the equilibrium position. A nonlinear mathematical model is then developed, based on the pre-compression of the flexure-based spring mechanisms. The dynamics are further analyzed using the Harmonic Balance method. The vibration attention efficiency is illustrated using displacement transmissibility, which is then compared with the corresponding linear isolator. The effects of parameters on performance are also investigated by numerical solutions. The flexure-based spring mechanisms are subsequently designed using the concept of compliant mechanisms, with evaluation by ANSYS software, and simulations of the QZS isolator.

Keywords: vibration isolator, quasi-zero stiffness, flexure-based spring mechanisms, compliant mechanism

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1319 Determination of the Friction Coefficient of AL5754 Alloy by Ring Compression Test: Experimental and Numerical Survey

Authors: P. M. Keshtiban, M. Zadshakoyan

Abstract:

One of the important factors that alter different process and geometrical parameters on metal forming processes is friction between contacting surfaces. Some important factors that effected directly by friction are: stress, strain, required load, wear of surfaces and then geometrical parameters. In order to control friction effects permanent lubrication is necessary. In this article, the friction coefficient is elicited by the most effective method, ring compression tests. The tests were done by both finite element method and practical tests. Different friction curves that extracted by finite element simulations and has good conformity with published results, used for obtaining final friction coefficient. In this study Mos2 is used as the lubricant and Al5754 alloy used as the specimens material.

Keywords: experiment, FEM, friction coefficient, ring compression

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1318 Simulation of Low Cycle Fatigue Behaviour of Nickel-Based Alloy at Elevated Temperatures

Authors: Harish Ramesh Babu, Marco Böcker, Mario Raddatz, Sebastian Henkel, Horst Biermann, Uwe Gampe

Abstract:

Thermal power machines are subjected to cyclic loading conditions under elevated temperatures. At these extreme conditions, the durability of the components has a significant influence. The material mechanical behaviour has to be known in detail for a failsafe construction. For this study a nickel-based alloy is considered, the deformation and fatigue behaviour of the material is analysed under cyclic loading. A viscoplastic model is used for calculating the deformation behaviour as well as to simulate the rate-dependent and cyclic plasticity effects. Finally, the cyclic deformation results of the finite element simulations are compared with low cycle fatigue (LCF) experiments.

Keywords: complex low cycle fatigue, elevated temperature, fe-simulation, viscoplastic

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1317 Numerical and Experimental Investigation of Mixed-Mode Fracture of Cement Paste and Interface Under Three-Point Bending Test

Authors: S. Al Dandachli, F. Perales, Y. Monerie, F. Jamin, M. S. El Youssoufi, C. Pelissou

Abstract:

The goal of this research is to study the fracture process and mechanical behavior of concrete under I–II mixed-mode stress, which is essential for ensuring the safety of concrete structures. For this purpose, two-dimensional simulations of three-point bending tests under variable load and geometry on notched cement paste samples of composite samples (cement paste/siliceous aggregate) are modeled by employing Cohesive Zone Models (CZMs). As a result of experimental validation of these tests, the CZM model demonstrates its capacity to predict fracture propagation at the local scale.

Keywords: cement paste, interface, cohesive zone model, fracture, three-point flexural test bending

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1316 Numerical Analysis of Water Hammer in a Viscoelastic Pipe System Considering Fluid Structure Interaction

Authors: N. Tavakoli Shirazi

Abstract:

This study investigates the effects of pipe-wall viscoelasticity on water hammer pressures. Tests have been conducted in a reservoir-pipe-valve system configured of a main viscoelastic pipeline and two short steel pipes placed upstream and downstream of the main pipe. Rapid closure of a manually operated valve at the downstream end generates water hammer. Experimental measurements at several positions along the pipeline have been collected from the papers. Computer simulations of the experiment have been performed and the results of runs with various options affecting the water hammer are provided and discussed. It is shown that the incorporation of viscoelastic pipe wall mechanical behavior in the hydraulic transient model contributes to a favorable fitting between numerical results and observed data.

Keywords: pipe system, PVC pipe, viscoelasticity, water hammer

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1315 Designing an Automatic Mechanical System to Prevent Cancers Caused by Drinks

Authors: Ghasem Yazadani, Hamidreza Ahmadi, Masoud Ahmadi, Sajad Rezazadeh

Abstract:

In this paper with designing and proposing a compound of a heating and cooling system has been tried to show effect of this system on preventing esophagus cancer that can be caused by hot and cold drinks such as tea, coffee and ice water. This system has been simulated mechanically by fluent software and also has been validated by experimental way and a comprehensive result has been presented. Both of solution ways show that this system can reduce or increase temperature of drink to safe very dramatically and it can be a huge step toward consuming drinks safely and also it can be efficient about time issues. The system consists of a temperature sensor and an electronic controller that has a computer program to act automatically this task. Also this system has been presented after many different simulations and has been tried to find the best one in the point view of velocity of heating and cooling.

Keywords: fluent, heat transfer, controller, esophagus cancer

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1314 Using Adaptive Pole Placement Control Strategy for Active Steering Safety System

Authors: Hadi Adibi-Asl, Alireza Doosthosseini, Amir Taghavipour

Abstract:

This paper studies the design of an adaptive control strategy to tune an active steering system for better drivability and maneuverability. In the first step, adaptive control strategy is applied to estimate the uncertain parameters on-line (e.g. cornering stiffness), then the estimated parameters are fed into the pole placement controller to generate corrective feedback gain to improve the steering system dynamic’s characteristics. The simulations are evaluated for three types of road conditions (dry, wet, and icy), and the performance of the adaptive pole placement control (APPC) are compared with pole placement control (PPC) and a passive system. The results show that the APPC strategy significantly improves the yaw rate and side slip angle of a bicycle plant model.

Keywords: adaptive control, active steering, pole placement, vehicle dynamics

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1313 Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures

Authors: R. O. Ocaya, J. J. Terblans

Abstract:

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C language, molecular dynamics, simulation, embedded atom method

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1312 Projective Lag Synchronization in Drive-Response Dynamical Networks via Hybrid Feedback Control

Authors: Mohd Salmi Md Noorani, Ghada Al-Mahbashi, Sakhinah Abu Bakar

Abstract:

This paper investigates projective lag synchronization (PLS) behavior in drive response dynamical networks (DRDNs) model with identical nodes. A hybrid feedback control method is designed to achieve the PLS with mismatch and without mismatch terms. The stability of the error dynamics is proven theoretically using the Lyapunov stability theory. Finally, analytical results show that the states of the dynamical network with non-delayed coupling can be asymptotically synchronized onto a desired scaling factor under the designed controller. Moreover, the numerical simulations results demonstrate the validity of the proposed method.

Keywords: drive-response dynamical network, projective lag synchronization, hybrid feedback control, stability theory

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1311 Advanced Simulation of Power Consumption of Electric Vehicles

Authors: Ilya Kavalchuk, Hayrettin Arisoy, Alex Stojcevski, Aman Maun Than Oo

Abstract:

Electric vehicles are one of the most complicated electric devices to simulate due to the significant number of different processes involved in electrical structure of it. There are concurrent processes of energy consumption and generation with different onboard systems, which make simulation tasks more complicated to perform. More accurate simulation on energy consumption can provide a better understanding of all energy management for electric transport. As a result of all those processes, electric transport can allow for a more sustainable future and become more convenient in relation to the distance range and recharging time. This paper discusses the problems of energy consumption simulations for electric vehicles using different software packages to provide ideas on how to make this process more precise, which can help engineers create better energy management strategies for electric vehicles.

Keywords: electric vehicles, EV, power consumption, power management, simulation

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1310 Zero Net Energy Communities and the Impacts to the Grid

Authors: Heidi von Korff

Abstract:

The electricity grid is changing in terms of flexibility. Distributed generation (DG) policy is being discussed worldwide and implemented. Developers and utilities are seeking a pathway towards Zero Net Energy (ZNE) communities and the interconnection to the distribution grid. Using the VISDOM platform for establishing a method for managing and monitoring energy consumption loads of ZNE communities as a capacity resource for the grid. Reductions in greenhouse gas emissions and energy security are primary policy drivers for incorporating high-performance energy standards and sustainability practices in residential households, such as a market transformation of ZNE and nearly ZNE (nZNE) communities. This research investigates how load data impacts ZNE, to see if there is a correlation to the daily load variations in a single ZNE home. Case studies will include a ZNE community in California and a nearly ZNE community (All – Electric) in the Netherlands, which both are in measurement and verification (M&V) phases and connected to the grid for simulations of methods.

Keywords: zero net energy, distributed generation, renewable energy, zero net energy community

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1309 Geometric Calibration of Computed Tomography Equipment

Authors: Chia-Hung Liao, Shih-Chieh Lin

Abstract:

X-ray computed tomography (CT) technology has been used in the electronics industry as one of the non-destructive inspection tools for years. The key advantage of X-ray computed tomography technology superior to traditional optical inspection is the penetrating characteristics of X-rays can be used to detect defects in the interior of objects. The objective of this study is to find a way to estimate the system geometric deviation of X-ray CT equipment. Projection trajectories of the characteristic points of standard parts were tracked, and ways to calculate the deviation of various geometric parameters of the system will be proposed and evaluated. A simulation study will be conducted to first find out the effects of system geometric deviation on projected trajectories. Then ways to estimate geometric deviation with collected trajectories will be proposed and tested through simulations.

Keywords: geometric calibration, X-ray computed tomography, trajectory tracing, reconstruction optimization

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1308 A Novel Design Methodology for a 1.5 KW DC/DC Converter in EV and Hybrid EV Applications

Authors: Farhan Beg

Abstract:

This paper presents a method for the efficient implementation of a unidirectional or bidirectional DC/DC converter. The DC/DC converter is used essentially for energy exchange between the low voltage service battery and a high voltage battery commonly found in Electric Vehicle applications. In these applications, apart from cost, efficiency of design is an important characteristic. A useful way to reduce the size of electronic equipment in the electric vehicles is proposed in this paper. The technique simplifies the mechanical complexity and maximizes the energy usage using the latest converter control techniques. Moreover a bidirectional battery charger for hybrid electric vehicles is also implemented in this paper. Several simulations on the test system have been carried out in Matlab/Simulink environment. The results exemplify the robustness of the proposed design methodology in case of a 1.5 KW DC-DC converter.

Keywords: DC-DC converters, electric vehicles, power electronics, direct current control

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1307 How Geant4 Hadronic Models Handle Tracking of Pion Particles Resulting from Antiproton Annihilation

Authors: M. B. Tavakoli, R. Reiazi, M. M. Mohammadi, K. Jabbari

Abstract:

From 2003, AD4/ACE experiment in CERN tried to investigate different aspects of antiproton as a new modality in particle therapy. Because of lack of reliable absolute dose measurements attempts to find out the radiobiological characteristics of antiproton have not reached to a reasonable result yet. From the other side, application of Geant4 in medical approaches is increased followed by Geant4-DNA project which focuses on using this code to predict radiation effects in the cellular scale. This way we can exploit Geant4-DNA results for antiproton. Unfortunately, previous studies showed there are serious problem in simulating an antiproton beam using Geant4. Since most of the problem was in the Bragg peak region which antiproton annihilates there, in this work we tried to understand if the problem came from the way in which Geant4 handles annihilation products especially pion particles. This way, we can predict the source of the dose discrepancies between Geant4 simulations and dose measurements done in CERN.

Keywords: Geant4, antiproton, annihilation, pion plus, pion minus

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1306 Magnetohydrodynamic Flows in a Misaligned Duct under a Uniform Magnetic Field

Authors: Mengqi Zhu, Chang Nyung Kim

Abstract:

This study numerically investigates three-dimensional liquid-metal (LM) magnetohydrodynamic (MHD) flows in a misaligned duct under a uniform magnetic field. The duct consists of two misaligned horizontal channels (one is inflow channel, the other is outflow channel) and one central vertical channel. Computational fluid dynamics simulations are performed to predict the behavior of the MHD flows, using commercial code CFX. In the current study, a case with Hartmann number 1000 is considered. The electromagnetic features of LM MHD flows are elucidated to examine the interdependency of the flow velocity, current density, electric potential, pressure drop and Lorentz force. The results show that pressure decreases linearly along the main flow direction.

Keywords: CFX, liquid-metal magnetohydrodynamic flows, misaligned duct, pressure drop

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1305 Heat Capacity of a Soluble in Water Protein: Equilibrium Molecular Dynamics Simulation

Authors: A. Rajabpour, A. Hadizadeh Kheirkhah

Abstract:

Heat transfer is of great importance to biological systems in order to function properly. In the present study, specific heat capacity as one of the most important heat transfer properties is calculated for a soluble in water Lysozyme protein. Using equilibrium molecular dynamics (MD) simulation, specific heat capacities of pure water, dry lysozyme, and lysozyme-water solution are calculated at 300K for different weight fractions. It is found that MD results are in good agreement with ideal binary mixing rule at small weight fractions. Results of all simulations have been validated with experimental data.

Keywords: specific heat capacity, molecular dynamics simulation, lysozyme protein, equilibrium

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1304 Stability Analysis of a Low Power Wind Turbine for the Simultaneous Generation of Energy through Two Electric Generators

Authors: Daniel Icaza, Federico Córdova, Chiristian Castro, Fernando Icaza, Juan Portoviejo

Abstract:

In this article, the mathematical model is presented, and simulations were carried out using specialized software such as MATLAB before the construction of a 900-W wind turbine. The present study was conducted with the intention of taking advantage of the rotation of the blades of the wind generator after going through a process of amplification of speed by means of a system of gears to finally mechanically couple two electric generators of similar characteristics. This coupling allows generating a maximum voltage of 6 V in DC for each generator and putting in series the 12 V DC is achieved, which is later stored in batteries and used when the user requires it. Laboratory tests were made to verify the level of power generation produced based on the wind speed at the entrance of the blades.

Keywords: smart grids, wind turbine, modeling, renewable energy, robust control

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1303 Characterization of Plunging Water Jets in Crossflows: Experimental and Numerical Studies

Authors: Mina Esmi Jahromi, Mehdi Khiadani

Abstract:

Plunging water jets discharging into turbulent crossflows are capable of providing efficient air water interfacial area, which is desirable for the process of mass transfer. Although several studies have been dedicated to the air entrainment by water jets impinging into stagnant water, very few studies have focused on the water jets in crossflows. This study investigates development of the two-phase flow as a result of the jet impingements into crossflows by means of image processing technique and CFD simulations. Investigations are also conducted on the oxygen transfer and a correlation is established between the aeration properties and the oxygenation capacity of water jets in crossflows. This study helps the optimal design and the effective operation of the industrial and the environmental equipment incorporating water jets in crossflows.

Keywords: air entrainment, CFD simulation, image processing, jet in crossflow, oxygen transfer, two-phase flow

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1302 Periodically Forced Oscillator with Noisy Chaotic Dynamics

Authors: Adedayo Oke Adelakun

Abstract:

The chaotic dynamics of periodically forced oscillators with smooth potential has been extensively investigated via theoretical, numerical and experimental simulations. With the advent of the study of chaotic dynamics by means of method of multiple time scale analysis, Melnikov theory, bifurcation diagram, Poincare's map, bifurcation diagrams and Lyapunov exponents, it has become necessary to seek for a better understanding of nonlinear oscillator with noisy term. In this paper, we examine the influence of noise on complex dynamical behaviour of periodically forced F6 - Duffing oscillator for specific choice of noisy parameters. The inclusion of noisy term improves the dynamical behaviour of the oscillator which may have wider application in secure communication than smooth potential.

Keywords: hierarchical structure, periodically forced oscillator, noisy parameters, dynamical behaviour, F6 - duffing oscillator

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1301 Renewable Energy Interfaced Shunt Active Filter Using a Virtual Flux Direct Power Control

Authors: M. R. Bengourina, M. Rahli, L. Hassaine, S. Saadi

Abstract:

In this study, we present a control method entitled virtual flux direct power control of a grid connected photovoltaic system associated with an active power filter. The virtual flux direct control of power (VF-DPC) is employed for the calculation of reference current generation. In this technique, the switches states of inverter are selected from a table of switching based on the immediate errors between the active and reactive powers and their reference values. The objectives of this paper are the reduction of Total Harmonic Distortion (THD) of source current, compensating reactive power and injecting the maximum active power available from the PV array into the load and/or grid. MATLAB/SIMULINK simulations are provided to demonstrate the performance of the proposed approach.

Keywords: shunt active power filter, VF-DPC, photovoltaic, MPPT

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1300 Modeling and Simulation for 3D Eddy Current Testing in Conducting Materials

Authors: S. Bennoud, M. Zergoug

Abstract:

The numerical simulation of electromagnetic interactions is still a challenging problem, especially in problems that result in fully three dimensional mathematical models. The goal of this work is to use mathematical modeling to characterize the reliability and capacity of eddy current technique to detect and characterize defects embedded in aeronautical in-service pieces. The finite element method is used for describing the eddy current technique in a mathematical model by the prediction of the eddy current interaction with defects. However, this model is an approximation of the full Maxwell equations. In this study, the analysis of the problem is based on a three dimensional finite element model that computes directly the electromagnetic field distortions due to defects.

Keywords: eddy current, finite element method, non destructive testing, numerical simulations

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1299 Elimination of Low Order Harmonics in Multilevel Inverter Using Nature-Inspired Metaheuristic Algorithm

Authors: N. Ould Cherchali, A. Tlemçani, M. S. Boucherit, A. Morsli

Abstract:

Nature-inspired metaheuristic algorithms, particularly those founded on swarm intelligence, have attracted much attention over the past decade. Firefly algorithm has appeared in approximately seven years ago, its literature has enlarged considerably with different applications. It is inspired by the behavior of fireflies. The aim of this paper is the application of firefly algorithm for solving a nonlinear algebraic system. This resolution is needed to study the Selective Harmonic Eliminated Pulse Width Modulation strategy (SHEPWM) to eliminate the low order harmonics; results have been applied on multilevel inverters. The final results from simulations indicate the elimination of the low order harmonics as desired. Finally, experimental results are presented to confirm the simulation results and validate the efficaciousness of the proposed approach.

Keywords: firefly algorithm, metaheuristic algorithm, multilevel inverter, SHEPWM

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1298 Modulation of Receptor-Activation Due to Hydrogen Bond Formation

Authors: Sourav Ray, Christoph Stein, Marcus Weber

Abstract:

A new class of drug candidates, initially derived from mathematical modeling of ligand-receptor interactions, activate the μ-opioid receptor (MOR) preferentially at acidic extracellular pH-levels, as present in injured tissues. This is of commercial interest because it may preclude the adverse effects of conventional MOR agonists like fentanyl, which include but are not limited to addiction, constipation, sedation, and apnea. Animal studies indicate the importance of taking the pH value of the chemical environment of MOR into account when designing new drugs. Hydrogen bonds (HBs) play a crucial role in stabilizing protein secondary structure and molecular interaction, such as ligand-protein interaction. These bonds may depend on the pH value of the chemical environment. For the MOR, antagonist naloxone and agonist [D-Ala2,N-Me-Phe4,Gly5-ol]-enkephalin (DAMGO) form HBs with ionizable residue HIS 297 at physiological pH to modulate signaling. However, such interactions were markedly reduced at acidic pH. Although fentanyl-induced signaling is also diminished at acidic pH, HBs with HIS 297 residue are not observed at either acidic or physiological pH for this strong agonist of the MOR. Molecular dynamics (MD) simulations can provide greater insight into the interaction between the ligand of interest and the HIS 297 residue. Amino acid protonation states are adjusted to the model difference in system acidity. Unbiased and unrestrained MD simulations were performed, with the ligand in the proximity of the HIS 297 residue. Ligand-receptor complexes were embedded in 1-palmitoyl-2-oleoyl-sn glycero-3-phosphatidylcholine (POPC) bilayer to mimic the membrane environment. The occurrence of HBs between the different ligands and the HIS 297 residue of MOR at acidic and physiological pH values were tracked across the various simulation trajectories. No HB formation was observed between fentanyl and HIS 297 residue at either acidic or physiological pH. Naloxone formed some HBs with HIS 297 at pH 5, but no such HBs were noted at pH 7. Interestingly, DAMGO displayed an opposite yet more pronounced HB formation trend compared to naloxone. Whereas a marginal number of HBs could be observed at even pH 5, HBs with HIS 297 were more stable and widely present at pH 7. The HB formation plays no and marginal role in the interaction of fentanyl and naloxone, respectively, with the HIS 297 residue of MOR. However, HBs play a significant role in the DAMGO and HIS 297 interaction. Post DAMGO administration, these HBs might be crucial for the remediation of opioid tolerance and restoration of opioid sensitivity. Although experimental studies concur with our observations regarding the influence of HB formation on the fentanyl and DAMGO interaction with HIS 297, the same could not be conclusively stated for naloxone. Therefore, some other supplementary interactions might be responsible for the modulation of the MOR activity by naloxone binding at pH 7 but not at pH 5. Further elucidation of the mechanism of naloxone action on the MOR could assist in the formulation of cost-effective naloxone-based treatment of opioid overdose or opioid-induced side effects.

Keywords: effect of system acidity, hydrogen bond formation, opioid action, receptor activation

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1297 Probabilistic Analysis of Fiber-Reinforced Infinite Slopes

Authors: Assile Abou Diab, Shadi Najjar

Abstract:

Fiber-reinforcement is an effective soil improvement technique for applications involving the prevention of shallow failures on the slope face and the repair of existing slope failures. A typical application is the stabilization of cohesionless infinite slopes. The objective of this paper is to present a probabilistic, reliability-based methodology (based on Monte Carlo simulations) for the design of a practical fiber-reinforced cohesionless infinite slope, taking into consideration the impact of various sources of uncertainty. Recommendations are made regarding the required factors of safety that need to be used to achieve a given target reliability level. These factors of safety could differ from the traditional deterministic factor of safety.

Keywords: factor of safety, fiber reinforcement, infinite slope, reliability-based design, uncertainty

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1296 Heat Transfer Performance for Turbulent Flow through a Tube Using Baffles

Authors: Amina Benabderrahmane, Abdelylah Benazza, Samir Laouedj

Abstract:

Three dimensional numerical investigation of heat transfer enhancement inside a non-uniformly heated parabolic trough solar collector fitted with baffles under turbulent flow was studied in the current paper. Molten salt is used as heat transfer fluid and simulations are carried out in ANSYS computational fluid dynamics (CFD). The present data was validating by the empirical correlations available in the literatures and good agreement was obtained. The Nusselt number and friction factor values for using baffles are considerably higher than that for smooth pipe. The emplacement and the distance between two consecutive baffles have an effect non-negligible on heat transfer characteristics; the results demonstrate that the temperature gradient reduces with the inclusion of inserts.

Keywords: Baffles, heat transfer enhancement, molten salt, Monte Carlo ray trace technique, numerical investigation

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1295 Experimental and Numerical Investigation of Flow Control Using a Novel Active Slat

Authors: Basman Elhadidi, Islam Elqatary, Osama Saaid, Hesham Othman

Abstract:

An active slat is developed to increase the lift and delay the separation for a DU96-W180 airfoil. The active slat is a fixed slat that can be closed, fully opened or intermittently opened by a rotating vane depending on the need. Experimental results show that the active slat has reduced the mean pressure and increased the mean velocity on the suction side of the airfoil for all positive angles of attack, indicating an increase of lift. The experimental data and numerical simulations also show that the direction of actuator vane rotation can influence the mixing of the flow streams on the suction side and hence influence the aerodynamic performance.

Keywords: active slat, flow control, experimental investigation, aerodynamic performance

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1294 Hybrid Hierarchical Routing Protocol for WSN Lifetime Maximization

Authors: H. Aoudia, Y. Touati, E. H. Teguig, A. Ali Cherif

Abstract:

Conceiving and developing routing protocols for wireless sensor networks requires considerations on constraints such as network lifetime and energy consumption. In this paper, we propose a hybrid hierarchical routing protocol named HHRP combining both clustering mechanism and multipath optimization taking into account residual energy and RSSI measures. HHRP consists of classifying dynamically nodes into clusters where coordinators nodes with extra privileges are able to manipulate messages, aggregate data and ensure transmission between nodes according to TDMA and CDMA schedules. The reconfiguration of the network is carried out dynamically based on a threshold value which is associated with the number of nodes belonging to the smallest cluster. To show the effectiveness of the proposed approach HHRP, a comparative study with LEACH protocol is illustrated in simulations.

Keywords: routing protocol, optimization, clustering, WSN

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