Search results for: Ab initio molecular dynamics simulations

Authors: M. Wasy Akhtar

Abstract:

Multi-modal film boiling simulations are carried out on adaptive octree grids. The liquid-vapor interface is captured using the volume-of-fluid framework adjusted to account for exchanges of mass, momentum, and energy across the interface. Surface tension effects are included using a volumetric source term in the momentum equations. The phase change calculations are conducted based on the exact location and orientation of the interface; however, the source terms are calculated using the mixture variables to be consistent with the one field formulation used to represent the entire fluid domain. The numerical model on octree representation of the computational grid is first verified using test cases including advection tests in severely deforming velocity fields, gravity-based instabilities and bubble growth in uniformly superheated liquid under zero gravity. The model is then used to simulate both single and multi-modal film boiling simulations. The octree grid is dynamically adapted in order to maintain the highest grid resolution on the instability fronts using markers of interface location, volume fraction, and thermal gradients. The method thus provides an efficient platform to simulate fluid instabilities with or without phase change in the presence of body forces like gravity or shear layer instabilities.

Keywords: Boiling flows, dynamic octree grids, heat transfer, interface capturing, phase change.

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Authors: Giulio Mangano, Alberto De Marco, Giovanni Zenezini

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The concept of City Logistics (CL) has emerged to improve the impacts of last mile freight distribution in urban areas. In this paper, a System Dynamics (SD) model exploring the dynamics of the diffusion of a ICT platform for CL management across different populations is proposed. For the development of the model two sources have been used. On the one hand, the major diffusion variables and feedback loops are derived from a literature review of existing diffusion models. On the other hand, the parameters are represented by the value propositions delivered by the platform as a response to some of the users’ needs. To extract the most important value propositions the Business Model Canvas approach has been used. Such approach in fact focuses on understanding how a company can create value for her target customers. These variables and parameters are thus translated into a SD diffusion model with three different populations namely municipalities, logistics service providers, and own account carriers. Results show that, the three populations under analysis fully adopt the platform within the simulation time frame, highlighting a strong demand by different stakeholders for CL projects aiming at carrying out more efficient urban logistics operations.

Keywords: City logistics, simulation, system dynamics, business model.

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Authors: Mutuku Muvengei, John Kihiu

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This paper focuses on the development of bond graph dynamic model of the mechanical dynamics of an excavating mechanism previously designed to be used with small tractors, which are fabricated in the Engineering Workshops of Jomo Kenyatta University of Agriculture and Technology. To develop a mechanical dynamics model of the manipulator, forward recursive equations similar to those applied in iterative Newton-Euler method were used to obtain kinematic relationships between the time rates of joint variables and the generalized cartesian velocities for the centroids of the links. Representing the obtained kinematic relationships in bondgraphic form, while considering the link weights and momenta as the elements led to a detailed bond graph model of the manipulator. The bond graph method was found to reduce significantly the number of recursive computations performed on a 3 DOF manipulator for a mechanical dynamic model to result, hence indicating that bond graph method is more computationally efficient than the Newton-Euler method in developing dynamic models of 3 DOF planar manipulators. The model was verified by comparing the joint torque expressions of a two link planar manipulator to those obtained using Newton- Euler and Lagrangian methods as analyzed in robotic textbooks. The expressions were found to agree indicating that the model captures the aspects of rigid body dynamics of the manipulator. Based on the model developed, actuator sizing and valve sizing methodologies were developed and used to obtain the optimal sizes of the pistons and spool valve ports respectively. It was found that using the pump with the sized flow rate capacity, the engine of the tractor is able to power the excavating mechanism in digging a sandy-loom soil.

Keywords: Actuators, bond graphs, inverse dynamics, recursive equations, quintic polynomial trajectory.

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: Ryszard Matysiak, Grzegorz Kamieniarz

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The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecularbased spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. Using QTM, the spin degrees of freedom are accurately taken into account, yielding the thermodynamical functions at finite temperatures. In order to test the application for the susceptibility calculations to run in the parallel environment, the speed-up and efficiency of parallelization are analyzed on our platform SGI Origin 3800 with p = 128 processor units. Using Message Parallel Interface (MPI) system libraries we find the efficiency of the code of 94% for p = 128 that makes our application highly scalable.

Keywords: Deterministic simulations, low-dimensional magnets, modeling of complex systems, parallelization.

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Authors: Nuri Yucel, Muhammed Ilter Berberoglu, Salih Karaaslan, Nureddin Dinler

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The objective of this study is to investigate fire behaviors, experimentally and numerically, in a scaled version of an underground station. The effect of ventilation velocity on the fire is examined. Fire experiments are simulated by burning 10 ml isopropyl alcohol fuel in a fire pool with dimensions 5cm x 10cm x 4 mm at the center of 1/100 scaled underground station model. A commercial CFD program FLUENT was used in numerical simulations. For air flow simulations, k-ω SST turbulence model and for combustion simulation, non-premixed combustion model are used. This study showed that, the ventilation velocity is increased from 1 m/s to 3 m/s the maximum temperature in the station is found to be less for ventilation velocity of 1 m/s. The reason for these experimental result lies on the relative dominance of oxygen supply effect on cooling effect. Without piston effect, maximum temperature occurs above the fuel pool. However, when the ventilation velocity increased the flame was tilted in the direction of ventilation and the location of maximum temperature moves along the flow direction. The velocities measured experimentally in the station at different locations are well matched by the CFD simulation results. The prediction of general flow pattern is satisfactory with the smoke visualization tests. The backlayering in velocity is well predicted by CFD simulation. However, all over the station, the CFD simulations predicted higher temperatures compared to experimental measurements.

Keywords: Fire, underground station, flame propagation, CFDsimulation, k-ω SST turbulence model, non-premixed combustionmodel.

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Authors: Eldin Wee Chuan Lim

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The mixing behaviors of dry and wet granular materials in gas fluidized bed systems were investigated computationally using the combined Computational Fluid Dynamics and Discrete Element Method (CFD-DEM). Dry particles were observed to mix fairly rapidly during the fluidization process due to vigorous relative motions between particles induced by the flow of gas. In contrast, due to the presence of strong cohesive forces arising from capillary liquid bridges between wet particles, the mixing efficiencies of wet granular materials under similar operating conditions were observed to be reduced significantly.

Keywords: Computational Fluid Dynamics, Discrete Element Method, Gas Fluidization, Mixing, Wet particles

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Authors: M. Karamifard, M. Kazeminejad, A. Maghsoodloo

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Electromagnetic flow meter by measuring the varying of magnetic flux, which is related to the velocity of conductive flow, can measure the rate of fluids very carefully and precisely. Electromagnetic flow meter operation is based on famous Faraday's second Law. In these equipments, the constant magnetostatic field is produced by electromagnet (winding around the tube) outside of pipe and inducting voltage that is due to conductive liquid flow is measured by electrodes located on two end side of the pipe wall. In this research, we consider to 2-dimensional mathematical model that can be solved by numerical finite difference (FD) solution approach to calculate induction potential between electrodes. The fundamental concept to design the electromagnetic flow meter, exciting winding and simulations are come out by using MATLAB and PDE-Tool software. In the last stage, simulations results will be shown for improvement and accuracy of technical provision.

Keywords: Electromagnetic Flow Meter, Induction Voltage, Finite Difference

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Authors: Hamed Sanei, Mohammad Bagher Ayani

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Optimizations of Plate Heat Exchangers (PHS) have received great attention in the past decade. In this study, heat transfer and pressure drop coefficients are compared for rectangular and circular PHS employing numerical simulations. Plates are designed to have equivalent areas. Simulations were implemented to investigate the efficiency of PHSs considering heat transfer, friction factor and pressure drop. Amount of heat transfer and pressure drop was obtained for different range of Reynolds numbers. These two parameters were compared with aim of F "weighting factor correlation". In this comparison, the minimum amount of F indicates higher efficiency. Results reveal that the F value for rectangular shape is less than circular plate, and hence using rectangular shape of PHS is more efficient than circular one. It was observed that, the amount of friction factor is correlated to the Reynolds numbers, such that friction factor decreased in both rectangular and circular plates with an increase in Reynolds number. Furthermore, such simulations revealed that the amount of heat transfer in rectangular plate is more than circular plate for different range of Reynolds numbers. The difference is more distinct for higher Reynolds number. However, amount of pressure drop in circular plate is less than rectangular plate for the same range of Reynolds numbers which is considered as a negative point for rectangular plate efficiency. It can be concluded that, while rectangular PHSs occupy more space than circular plate, the efficiency of rectangular plate is higher.

Keywords: Chevron corrugated-plate heat exchanger, heat transfer, friction factor, Reynolds numbers.

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Authors: Permphan Dharmasaroja

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Acute disseminated encephalomyelitis (ADEM) has been reported to develop after a hymenoptera sting, but its pathogenesis is not known in detail. Myelin basic protein (MBP)- specific T cells have been detected in the blood of patients with ADEM, and a proportion of these patients develop multiple sclerosis (MS). In an attempt to understand the mechanisms underlying ADEM, molecular mimicry between hymenoptera venom peptides and the human immunodominant MBP peptide was scrutinized, based on the sequence and structural similarities, whether it was the root of the disease. The results suggest that the three wasp venom peptides have low sequence homology with the human immunodominant MBP residues 85-99. Structural similarity analysis among the three venom peptides and the MS-related HLA-DR2b (DRA, DRB1*1501)-associated immunodominant MHC binding/TCR contact residues 88-93, VVHFFK showed that hyaluronidase residues 7-12, phospholipase A1 residues 98-103, and antigen 5 residues 109-114 showed a high degree of similarity 83.3%, 100%, and 83.3% respectively. In conclusion, some wasp venom peptides, particularly phospholipase A1, may potentially act as the molecular motifs of the human 3HLA-DR2b-associated immunodominant MBP88-93, and possibly present a mechanism for induction of wasp sting-associated ADEM.

Keywords: central nervous system, Hymenoptera, myelin basicprotein, molecular mimicry.

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Authors: Junting Xiang, Jörg Uwe Schlüter, Fei Duan

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The miniaturization of gas turbines promises many advantages. Miniature gas turbines can be used for local power generation or the propulsion of small aircraft, such as UAV and MAV. However, experience shows that the miniaturization of conventional gas turbines, which are optimized at their current large size, leads to a substantial loss of efficiency and performance at smaller scales. This may be due to a number of factors, such as the Reynolds-number effect, the increased heat transfer, and manufacturing tolerances. In the present work, we focus on computational investigations of the Reynolds number effect and the wall heat transfer on the performance of axial compressor during its size change. The NASA stage 35 compressor is selected as the configuration in this study and computational fluid dynamics (CFD) is used to carry out the miniaturization process and simulations. We perform parameter studies on the effect of Reynolds number and wall thermal conditions. Our results indicate a decrease of efficiency, if the compressor is miniaturized based on its original geometry due to the increase of viscous effects. The increased heat transfer through wall has only a small effect and will actually benefit compressor performance based on our study.

Keywords: Axial compressor, CFD, heat transfer, miniature gas turbines, Reynolds number.

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Authors: Amin Eisazadeh, Khairul Anuar Kassim, Hadi Nur

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The expansive nature of soils containing high amounts of clay minerals can be altered through chemical stabilization, resulting in a material suitable for construction purposes. The primary objective of this investigation was to study the changes induced in the molecular structure of phosphoric acid stabilized bentonite and lateritic soil using Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR) spectroscopy. Based on the obtained data, it was found that a surface alteration mechanism was the main reason responsible for the improvement of treated soils. Furthermore, the results indicated that the Al present in the octahedral layer of clay minerals were more amenable to chemical attacks and also partly responsible for the formation of new products.

Keywords: Bentonite, Laterite clay, Molecularcharacterization, Phosphoric acid, Stabilization

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Authors: A. Benmakhlouf, A. Bentabet

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In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.

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Authors: Mojca Ciglaric, Andrej Krevl, Matjaž Pancur, Tone Vidmar

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P2P Networks are highly dynamic structures since their nodes – peer users keep joining and leaving continuously. In the paper, we study the effects of network change rates on query routing efficiency. First we describe some background and an abstract system model. The chosen routing technique makes use of cached metadata from previous answer messages and also employs a mechanism for broken path detection and metadata maintenance. Several metrics are used to show that the protocol behaves quite well even with high rate of node departures, but above a certain threshold it literally breaks down and exhibits considerable efficiency degradation.

Keywords: Network dynamics, overlay network, P2P system, routing efficiency.

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Authors: Muhammad Amjad Sohail, Prof. Yan Chao, Mukkarum Husain

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Flow field around hypersonic vehicles is very complex and difficult to simulate. The boundary layers are squeezed between shock layer and body surface. Resolution of boundary layer, shock wave and turbulent regions where the flow field has high values is difficult of capture. Detached eddy simulation (DES) is a modification of a RANS model in which the model switches to a subgrid scale formulation in regions fine enough for LES calculations. Regions near solid body boundaries and where the turbulent length scale is less than the maximum grid dimension are assigned the RANS mode of solution. As the turbulent length scale exceeds the grid dimension, the regions are solved using the LES mode. Therefore the grid resolution is not as demanding as pure LES, thereby considerably cutting down the cost of the computation. In this research study hypersonic flow is simulated at Mach 8 and different angle of attacks to resolve the proper boundary layers and discontinuities. The flow is also simulated in the long wake regions. Mesh is little different than RANS simulations and it is made dense near the boundary layers and in the wake regions to resolve it properly. Hypersonic blunt cone cylinder body with frustrum at angle 5o and 10 o are simulated and there aerodynamics study is performed to calculate aerodynamics characteristics of different geometries. The results and then compared with experimental as well as with some turbulence model (SA Model). The results achieved with DES simulation have very good resolution as well as have excellent agreement with experimental and available data. Unsteady simulations are performed for DES calculations by using duel time stepping method or implicit time stepping. The simulations are performed at Mach number 8 and angle of attack from 0o to 10o for all these cases. The results and resolutions for DES model found much better than SA turbulence model.

Keywords: Detached eddy simulation, dual time stepping, hypersonic flow, turbulence modeling

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Authors: M. R. Ghasemi, R. Ghiasi, H. Varaee

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Surrogate model has received increasing attention for use in detecting damage of structures based on vibration modal parameters. However, uncertainties existing in the measured vibration data may lead to false or unreliable output result from such model. In this study, an efficient approach based on Monte Carlo simulation is proposed to take into account the effect of uncertainties in developing a surrogate model. The probability of damage existence (PDE) is calculated based on the probability density function of the existence of undamaged and damaged states. The kriging technique allows one to genuinely quantify the surrogate error, therefore it is chosen as metamodeling technique. Enhanced version of ideal gas molecular movement (EIGMM) algorithm is used as main algorithm for model updating. The developed approach is applied to detect simulated damage in numerical models of 72-bar space truss and 120-bar dome truss. The simulation results show the proposed method can perform well in probability-based damage detection of structures with less computational effort compared to direct finite element model.

Keywords: Enhanced ideal gas molecular movement, Kriging, probability-based damage detection, probability of damage existence, surrogate modeling, uncertainty quantification.

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Authors: Weishou Shen, Dong Liu, Di Ji, Haoyun Shen, Naifeng Lin

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Based on the field investigation and long term remote sensing data, the dynamics of the alpine wetland in the river basin and their response to climate change were studied. Results showed the alpine wetlands accounted for 3.73% of total basin in 2010. Lake and river appeared an increasing trend in the past 30 years, with an increase of 34.36 % and 24.57%. However, swamp exhibited a tendency of decreasing with 233.74 km2. Annual average temperature, maximum temperature, minimum temperature and precipitation in the river basin all exhibited an increasing trend, whereas relative humidity exhibited a decreasing trend. Ice and snow melting are main reasons of lake and river area enhancement and swamp area descend. There existed 91.78%-97.86% of reduced swamp converted into lakes on the basis of remote sensing image interpretation. China-s government policy of implementing development in the river basin is the major driving force of artificial wetland growth.

Keywords: alpine wetland dynamics, climate change, Yarlung Zangbo River basin

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Authors: Amanda M. Tadini, Houssam Hajjoul, Gustavo Nicolodelli, Stéphane Mounier, Célia R. Montes, Débora M. B. P. Milori

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Soil organic matter (SOM) plays an important role in maintaining soil productivity and accounting for the promotion of biological diversity. The main components of the SOM are the humic substances which can be fractionated according to its solubility in humic acid (HA), fulvic acids (FA) and humin (HU). The determination of the chemical properties of organic matter as well as its interaction with metallic species is an important tool for understanding the structure of the humic fractions. Fluorescence spectroscopy has been studied as a source of information about what is happening at the molecular level in these compounds. Specially, soils of Amazon region are an important ecosystem of the planet. The aim of this study is to understand the molecular and structural composition of HA samples from Spodosol of Amazonia using the fluorescence Emission-Excitation Matrix (EEM) and Time Resolved Fluorescence Spectroscopy (TRFS). The results showed that the samples of HA showed two fluorescent components; one has a more complex structure and the other one has a simpler structure, which was also seen in TRFS through the evaluation of each sample lifetime. Thus, studies of this nature become important because it aims to evaluate the molecular and structural characteristics of the humic fractions in the region that is considered as one of the most important regions in the world, the Amazon.

Keywords: Amazonian soil, characterization, fluorescence, humic acid, lifetime.

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Authors: Riccardo Fratini, Riccardo Santini, Jacopo Serafini, Massimo Gennaretti, Stefano Panzieri

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This paper presents a nonlinear differential model, for a three-bladed horizontal axis wind turbine (HAWT) suited for control applications. It is based on a 8-dofs, lumped parameters structural dynamics coupled with a quasi-steady sectional aerodynamics. In particular, using the Euler-Lagrange Equation (Energetic Variation approach), the authors derive, and successively validate, such model. For the derivation of the aerodynamic model, the Greenbergs theory, an extension of the theory proposed by Theodorsen to the case of thin airfoils undergoing pulsating flows, is used. Specifically, in this work, the authors restricted that theory under the hypothesis of low perturbation reduced frequency k, which causes the lift deficiency function C(k) to be real and equal to 1. Furthermore, the expressions of the aerodynamic loads are obtained using the quasi-steady strip theory (Hodges and Ormiston), as a function of the chordwise and normal components of relative velocity between flow and airfoil Ut, Up, their derivatives, and section angular velocity ε˙. For the validation of the proposed model, the authors carried out open and closed-loop simulations of a 5 MW HAWT, characterized by radius R =61.5 m and by mean chord c = 3 m, with a nominal angular velocity Ωn = 1.266rad/sec. The first analysis performed is the steady state solution, where a uniform wind Vw = 11.4 m/s is considered and a collective pitch angle θ = 0.88◦ is imposed. During this step, the authors noticed that the proposed model is intrinsically periodic due to the effect of the wind and of the gravitational force. In order to reject this periodic trend in the model dynamics, the authors propose a collective repetitive control algorithm coupled with a PD controller. In particular, when the reference command to be tracked and/or the disturbance to be rejected are periodic signals with a fixed period, the repetitive control strategies can be applied due to their high precision, simple implementation and little performance dependency on system parameters. The functional scheme of a repetitive controller is quite simple and, given a periodic reference command, is composed of a control block Crc(s) usually added to an existing feedback control system. The control block contains and a free time-delay system eτs in a positive feedback loop, and a low-pass filter q(s). It should be noticed that, while the time delay term reduces the stability margin, on the other hand the low pass filter is added to ensure stability. It is worth noting that, in this work, the authors propose a phase shifting for the controller and the delay system has been modified as e^(−(T−γk)), where T is the period of the signal and γk is a phase shifting of k samples of the same periodic signal. It should be noticed that, the phase shifting technique is particularly useful in non-minimum phase systems, such as flexible structures. In fact, using the phase shifting, the iterative algorithm could reach the convergence also at high frequencies. Notice that, in our case study, the shifting of k samples depends both on the rotor angular velocity Ω and on the rotor azimuth angle Ψ: we refer to this controller as a spatial repetitive controller. The collective repetitive controller has also been coupled with a C(s) = PD(s), in order to dampen oscillations of the blades. The performance of the spatial repetitive controller is compared with an industrial PI controller. In particular, starting from wind speed velocity Vw = 11.4 m/s the controller is asked to maintain the nominal angular velocity Ωn = 1.266rad/s after an instantaneous increase of wind speed (Vw = 15 m/s). Then, a purely periodic external disturbance is introduced in order to stress the capabilities of the repetitive controller. The results of the simulations show that, contrary to a simple PI controller, the spatial repetitive-PD controller has the capability to reject both external disturbances and periodic trend in the model dynamics. Finally, the nominal value of the angular velocity is reached, in accordance with results obtained with commercial software for a turbine of the same type.

Keywords: Wind turbines, aeroelasticity, repetitive control, periodic systems.

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Authors: Young Kwon Yang, In Sung Kang, Jung Ha Hwang, Jin Chul Park

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The present study is a foundational study for performance improvements on isolation wards to prevent proliferation of secondary infection of infectious diseases such as SARS, H1N1, and MERS inside hospitals. Accordingly, the present study conducted an analysis of the effect of sealing mechanisms and filling of openings on ensuring air tightness performance in isolation wards as well as simulation on air currents in improved isolation wards. The study method is as follows. First, previous studies on aerial infection type and mechanism were reviewed, and the review results were utilized as basic data of analysis on simulation of air current. Second, national and international legislations and regulations in relation to isolation wards as well as case studies on developed nations were investigated in order to identify the problems in isolation wards in Korea and improvement plans. Third, construction and facility plans were compared and analyzed between general and isolation wards focusing on large general hospitals in Korea, thereby conducting comparison and analysis on the performance and effects of air-tightness of general and isolation wards through CFD simulations. The study results showed that isolation wards had better air-tightness performance than that of general wards.

Keywords: AII Room, air-borne infection, CFD, computational fluid dynamics.

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Authors: Worachat Wannawong, Usa W. HumphriesPrungchan Wongwises, Suphat Vongvisessomjai

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The mathematical modeling of storm surge in sea and coastal regions such as the South China Sea (SCS) and the Gulf of Thailand (GoT) are important to study the typhoon characteristics. The storm surge causes an inundation at a lateral boundary exhibiting in the coastal zones particularly in the GoT and some part of the SCS. The model simulations in the three dimensional primitive equations with a high resolution model are important to protect local properties and human life from the typhoon surges. In the present study, the mathematical modeling is used to simulate the typhoon–induced surges in three case studies of Typhoon Linda 1997. The results of model simulations at the tide gauge stations can describe the characteristics of storm surges at the coastal zones.

Keywords: lateral boundary, mathematical modeling, numericalsimulations, three dimensional primitive equations, storm surge.

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Authors: Y. Saylan, F. Yılmaz, A. Denizli

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In this study, we have focused our attention on combining of molecular imprinting into nanofilms and QCM nanosensor approaches and producing QCM nanosensor for anti- CCP, chosen as model protein, using anti-CCP imprinted nanofilms. The nonimprinted nanosensor was also prepared to evaluate the selectivity of the imprinted nanosensor. Anti-CCP imprinted QCM nanosensor was tested for real time detection of anti-CCP from aqueous solution. The kinetic and affinity studies were determined by using anti-CCP solutions with different concentrations. The responses related with mass shifts (%m) and frequency shifts (%f) were used to evaluate adsorption properties. To show the selectivity of the anti-CCP imprinted QCM nanosensor, competitive adsorption of anti-CCP and IgM was investigated. The results indicate that anti- CCP imprinted QCM nanosensor has higher adsorption capabilities for anti-CCP than for IgM, due to selective cavities in the polymer structure.

Keywords: Anti-CCP, molecular imprinting, QCM nanosensor, rheumatoid arthritis.

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Authors: G. B. M. Carvalho, V. A. C. Vale, E. T. L. Cöuras Ford

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With the aim of increasing the levels of comfort and security structures, the study of dynamic loads on buildings has been one of the focuses in the area of control engineering, civil engineering and architecture. Thus, this work presents a study based on simulation of the dynamics of buildings in the form of portico subjected to wind action, besides presenting an action of passive control, using for this the dynamics of the structure, consequently representing a system appropriated on environmental issues. These control systems are named the dynamic vibration absorbers.

Keywords: Dynamic vibration absorber, structure, comfort, safety, wind behavior, structure.

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Authors: Mada Sanjaya, Halimatussadiyah, Dian Syah Maulana

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The nonlinear chaotic non-autonomous fourth order system is algebraically simple but can generate complex chaotic attractors. In this paper, non-autonomous fourth order chaotic oscillator circuits were designed and simulated. Also chaotic nonautonomous Attractor is addressed suitable for chaotic masking communication circuits using Matlab® and MultiSIM® programs. We have demonstrated in simulations that chaos can be synchronized and applied to signal masking communications. We suggest that this phenomenon of chaos synchronism may serve as the basis for little known chaotic non-autonomous Attractor to achieve signal masking communication applications. Simulation results are used to visualize and illustrate the effectiveness of non-autonomous chaotic system in signal masking. All simulations results performed on nonautonomous chaotic system are verify the applicable of secure communication.

Keywords: Bidirectional chaotic synchronization, double bellattractor, secure communication

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Authors: Seung Pil Pack

Abstract:

Deaminated lesions were produced via nitrosative oxidation of natural nucleobases; uracul (Ura, U) from cytosine (Cyt, C), hypoxanthine (Hyp, H) from adenine (Ade, A), and xanthine (Xan, X) and oxanine (Oxa, O) from guanine (Gua, G). Such damaged nucleobases may induce mutagenic problems, so that much attentions and efforts have been poured on the revealing of their mechanisms in vivo or in vitro. In this study, we employed these deaminated lesions as useful probes for analysis of DNA-binding/recognizing proteins or enzymes. Since the pyrimidine lesions such as Hyp, Oxa and Xan are employed as analogues of guanine, their comparative uses are informative for analyzing the role of Gua in DNA sequence in DNA-protein interaction. Several DNA oligomers containing such Hyp, Oxa or Xan substituted for Gua were designed to reveal the molecular interaction between DNA and protein. From this approach, we have got useful information to understand the molecular mechanisms of the DNA-recognizing enzymes, which have not ever been observed using conventional DNA oligomer composed of just natural nucleobases.

Keywords: Deaminated lesion, DNA-protein interaction, DNA-recognizing enzymes

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Authors: Farhad Asadi, S. Hossein Sadati

Abstract:

Bayesian approach can be used for parameter identification and extraction in state space models and its ability for analyzing sequence of data in dynamical system is proved in different literatures. In this paper, adaptive Kalman filter with Bayesian approach for identification of variances in measurement parameter noise is developed. Next, it is applied for estimation of the dynamical state and measurement data in discrete linear dynamical system. This algorithm at each step time estimates noise variance in measurement noise and state of system with Kalman filter. Next, approximation is designed at each step separately and consequently sufficient statistics of the state and noise variances are computed with a fixed-point iteration of an adaptive Kalman filter. Different simulations are applied for showing the influence of noise variance in measurement data on algorithm. Firstly, the effect of noise variance and its distribution on detection and identification performance is simulated in Kalman filter without Bayesian formulation. Then, simulation is applied to adaptive Kalman filter with the ability of noise variance tracking in measurement data. In these simulations, the influence of noise distribution of measurement data in each step is estimated, and true variance of data is obtained by algorithm and is compared in different scenarios. Afterwards, one typical modeling of nonlinear state space model with inducing noise measurement is simulated by this approach. Finally, the performance and the important limitations of this algorithm in these simulations are explained. 

Keywords: adaptive filtering, Bayesian approach Kalman filtering approach, variance tracking

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Authors: S. A. Ahmadi, S. Sharif, R. Jamshidi

Abstract:

In this article, the flow behavior around a NACA 0012 airfoil which is oscillating with different Reynolds numbers and in various amplitudes has been investigated numerically. Numerical simulations have been performed with ANSYS software. First, the 2- D geometry has been studied in different Reynolds numbers and angles of attack with various numerical methods in its static condition. This analysis was to choose the best turbulent model and comparing the grids to have the optimum one for dynamic simulations. Because the analysis was to study the blades of wind turbines, the Reynolds numbers were not arbitrary. They were in the range of 9.71e5 to 22.65e5. The angle of attack was in the range of -41.81° to 41.81°. By choosing the forward wind speed as the independent parameter, the others like Reynolds and the amplitude of the oscillation would be known automatically. The results show that the SST turbulent model is the best choice that leads the least numerical error with respect the experimental ones. Also, a dynamic stall phenomenon is more probable at lower wind speeds in which the lift force is less.

Keywords: Dynamic stall, Numerical simulation, Wind turbine, Turbulent Model

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Authors: Mehdi Ghommem, Daniel Garcia, Nathan Collier, Victor Calo

Abstract:

We develop a fast, user-friendly implementation of a potential flow solver based on the unsteady vortex lattice method (UVLM). The computational framework uses the Python programming language which has easy integration with the scripts requiring computationally-expensive operations written in Fortran. The mixed-language approach enables high performance in terms of solution time and high flexibility in terms of easiness of code adaptation to different system configurations and applications. This computational tool is intended to predict the unsteady aerodynamic behavior of multiple moving bodies (e.g., flapping wings, rotating blades, suspension bridges...) subject to an incoming air. We simulate different aerodynamic problems to validate and illustrate the usefulness and effectiveness of the developed computational tool.

Keywords: Unsteady aerodynamics, numerical simulations, mixed-language approach, potential flow.

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Authors: Maziar Ramezani, Thomas Neitzert

Abstract:

This paper gives an overview of a deep drawing process by pressurized liquid medium separated from the sheet by a rubber diaphragm. Hydroforming deep drawing processing of sheet metal parts provides a number of advantages over conventional techniques. It generally increases the depth to diameter ratio possible in cup drawing and minimizes the thickness variation of the drawn cup. To explore the deformation mechanism, analytical and numerical simulations are used for analyzing the drawing process of an AA6061-T4 blank. The effects of key process parameters such as coefficient of friction, initial thickness of the blank and radius between cup wall and flange are investigated analytically and numerically. The simulated results were in good agreement with the results of the analytical model. According to finite element simulations, the hydroforming deep drawing method provides a more uniform thickness distribution compared to conventional deep drawing and decreases the risk of tearing during the process.

Keywords: Deep drawing, Hydroforming, Rubber diaphragm

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Authors: A. Shaygani, R. Saifi, M. S. Saidi, M. Sani

Abstract:

Particle size distribution, the most important characteristics of aerosols, is obtained through electrical characterization techniques. The dynamics of charged nanoparticles under the influence of electric field in Electrical Mobility Spectrometer (EMS) reveals the size distribution of these particles. The accuracy of this measurement is influenced by flow conditions, geometry, electric field and particle charging process, therefore by the transfer function (transfer matrix) of the instrument. In this work, a wire-cylinder corona charger was designed and the combined fielddiffusion charging process of injected poly-disperse aerosol particles was numerically simulated as a prerequisite for the study of a multichannel EMS. The result, a cloud of particles with no uniform charge distribution, was introduced to the EMS. The flow pattern and electric field in the EMS were simulated using Computational Fluid Dynamics (CFD) to obtain particle trajectories in the device and therefore to calculate the reported signal by each electrometer. According to the output signals (resulted from bombardment of particles and transferring their charges as currents), we proposed a modification to the size of detecting rings (which are connected to electrometers) in order to evaluate particle size distributions more accurately. Based on the capability of the system to transfer information contents about size distribution of the injected particles, we proposed a benchmark for the assessment of optimality of the design. This method applies the concept of Von Neumann entropy and borrows the definition of entropy from information theory (Shannon entropy) to measure optimality. Entropy, according to the Shannon entropy, is the ''average amount of information contained in an event, sample or character extracted from a data stream''. Evaluating the responses (signals) which were obtained via various configurations of detecting rings, the best configuration which gave the best predictions about the size distributions of injected particles, was the modified configuration. It was also the one that had the maximum amount of entropy. A reasonable consistency was also observed between the accuracy of the predictions and the entropy content of each configuration. In this method, entropy is extracted from the transfer matrix of the instrument for each configuration. Ultimately, various clouds of particles were introduced to the simulations and predicted size distributions were compared to the exact size distributions.

Keywords: Aerosol Nano-Particle, CFD, Electrical Mobility Spectrometer, Von Neumann entropy.

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