Search results for: flow pattern transition

Authors: M. M. Doustdar , M. Mojtahedpoor

Abstract:

This paper addresses one important aspect of combustion system analysis, the spray evaporation and dispersion modeling. In this study we assume an empty cylinder which is as a simulator for a ramjet engine and the cylinder has been studied by cold flow. Four nozzles have the duties of injection which are located in the entrance of cylinder. The air flow comes into the cylinder from one side and injection operation will be done. By changing injection velocity and entrance air flow velocity, we have studied droplet sizing and efficient mass fraction of fuel vapor near and at the exit area. We named the mass of fuel vapor inside the flammability limit as the efficient mass fraction. Further, we decreased the initial temperature of fuel droplets and we have repeated the investigating again. To fulfill the calculation we used a modified version of KIVA-3V.

Keywords: Ramjet, droplet sizing, injection velocity, air flow velocity, efficient mass fraction.

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Authors: Qasem M. Al-Mdallal

Abstract:

This paper presents results obtained from the numerical solution for the flow past an oscillating circular cylinder at Reynolds number of 200. The frequency of oscillation was fixed to the vortex shedding frequency from a fixed cylinder, f0, while the amplitudes of oscillations were varied from to 1.1a, where a represents the radius of the cylinder. The response of the flow through the fluid forces acting on the surface of the cylinder are investigated. The lock-on phenomenon is captured at low oscillation amplitudes.

Keywords: Lock-on; streamwise oscillation; transverse oscillation; fluid forces, combined motion

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Authors: Luciano Nieddu, Giuseppe Manfredi

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In this paper a Pattern Recognition algorithm based on a constrained version of the k-means clustering algorithm will be presented. The proposed algorithm is a non parametric supervised statistical pattern recognition algorithm, i.e. it works under very mild assumptions on the dataset. The performance of the algorithm will be tested, togheter with a feature extraction technique that captures the information on the closed two-dimensional contour of an image, on images of industrial mineral ores.

Keywords: K-means, Industrial ores classification, Invariant Features, Supervised Classification.

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Authors: Xin H. Zou, Qiang Wang

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The comparisons of two typical fluidic thrust vectoring exhaust nozzles including two-dimensional(2-D) nozzle and axisymmetric nozzle on aerodynamic characteristics was presented by numerical simulation. The results show: the thrust vector angles increased with the increasing secondary flow but decreased with the nozzle pressure ratio (NPR) increasing. With the same secondary flow and NPR, the thrust vector angles of 2-D nozzle were higher than the axisymmetric nozzle-s. So with the lower NPR and more secondary weight flow, the much higher thrust vector angle was caused by 2-D fluidic nozzle. And with the higher NPR and less secondary weight flow, there was not much difference in angular dimension between two nozzles.

Keywords: Aerodynamic characteristics, fluidic nozzle, vector angle, thrust coefficient comparison.

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Authors: Radoslav Židek, Veronika Šidlová, Radovan Kasarda, Birgit Fuerst-Waltl

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Machine learning represents a set of topics dealing with the creation and evaluation of algorithms that facilitate pattern recognition, classification, and prediction, based on models derived from existing data. The data can present identification patterns which are used to classify into groups. The result of the analysis is the pattern which can be used for identification of data set without the need to obtain input data used for creation of this pattern. An important requirement in this process is careful data preparation validation of model used and its suitable interpretation. For breeders, it is important to know the origin of animals from the point of the genetic diversity. In case of missing pedigree information, other methods can be used for traceability of animal´s origin. Genetic diversity written in genetic data is holding relatively useful information to identify animals originated from individual countries. We can conclude that the application of data mining for molecular genetic data using supervised learning is an appropriate tool for hypothesis testing and identifying an individual.

Keywords: Genetic data, Pinzgau cattle, supervised learning.

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Authors: Thomas Paris, Vincent Bruyere, Patrick Namy

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A numerical model is developed to simulate gas blowdowns through a thin tube and a filter (porous media), separating a high pressure gas filled reservoir to low pressure ones. Based on a previous work, a one-dimensional approach is developed by using the finite element method to solve the transient compressible flow and to predict the pressure and temperature evolution in space and time. Mass, momentum, and energy conservation equations are solved in a fully coupled way in the reservoirs, the pipes and the porous media. Numerical results, such as pressure and temperature evolutions, are firstly compared with experimental data to validate the model for different configurations. Couplings between porous media and pipe flow are then validated by checking mass balance. The influence of the porous media and the nature of the gas is then studied for different initial high pressure values.

Keywords: Fluid mechanics, compressible flow, heat transfer, porous media.

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Authors: Hussein Togun, Tuqa Abdulrazzaq, S. N. Kazi, A. Badarudin, M. K. A. Ariffin

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Heat transfer and laminar air flow over a double backward-facing step numerically studied in this paper. The simulations was performed by using ANSYS ICEM for meshing process and using ANSYS fluent 14 (CFD) for solving. The k-ɛ standard model adopted with Reynolds number varied between 98.5 to 512 and three step height at constant heat flux (q=2000 W/m2). The top of wall and bottom of upstream are insulated with bottom of downstream is heated. The results show increase in Nusselt number with increases of Reynolds number for all cases and the maximum of Nusselt number happens at the first step in compared to the second step. Due to increase of cross section area of downstream to generate sudden expansion then Nusselt number decrease but the profile of Nusselt number keep same trend for all cases where increase after the first and second steps. Recirculation region after the first and second steps are denoted by contour of streamline velocity. The higher augmentation of heat transfer rate observed for case 1 at Reynolds number of 512 and heat flux q=2000 W/m².

Keywords: Laminar flow, Double backward, Separation flow, Recirculation flow.

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Authors: Kyoungjin Kim

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Viscous heating becomes significant in the high speed resin coating process of glass fibers for optical fiber manufacturing. This study focuses on the coating resin flows inside the capillary coating die of optical fiber coating applicator and they are numerically simulated to examine the effects of viscous heating and subsequent temperature increase in coating resin. Resin flows are driven by fast moving glass fiber and the pressurization at the coating die inlet, while the temperature dependent viscosity of liquid coating resin plays an important role in the resin flow. It is found that the severe viscous heating near the coating die wall profoundly alters the radial velocity profiles and that the increase of final coating thickness by die pressurization is amplified if viscous heating is present.

Keywords: Optical fiber manufacturing, Optical fiber coating, Capillary flow, Viscous heating, Flow simulation

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Authors: Ahmad Attiq Al-Ogaibi, Ahmad Sharieh, Moh’d Belal Al-Zoubi, R. Bremananth

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In pattern clustering, nearest neighborhood point computation is a challenging issue for many applications in the area of research such as Remote Sensing, Computer Vision, Pattern Recognition and Statistical Imaging. Nearest neighborhood computation is an essential computation for providing sufficient classification among the volume of pixels (voxels) in order to localize the active-region-of-interests (AROI). Furthermore, it is needed to compute spatial metric relationships of diverse area of imaging based on the applications of pattern recognition. In this paper, we propose a new methodology for finding the nearest neighbor point, depending on making a virtually grid of a hexagon cells, then locate every point beneath them. An algorithm is suggested for minimizing the computation and increasing the turnaround time of the process. The nearest neighbor query points Φ are fetched by seeking fashion of hexagon holistic. Seeking will be repeated until an AROI Φ is to be expected. If any point Υ is located then searching starts in the nearest hexagons in a circular way. The First hexagon is considered be level 0 (L0) and the surrounded hexagons is level 1 (L1). If Υ is located in L1, then search starts in the next level (L2) to ensure that Υ is the nearest neighbor for Φ. Based on the result and experimental results, we found that the proposed method has an advantage over the traditional methods in terms of minimizing the time complexity required for searching the neighbors, in turn, efficiency of classification will be improved sufficiently.

Keywords: Hexagon cells, k-nearest neighbors, Nearest Neighbor, Pattern recognition, Query pattern, Virtually grid

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Authors: Wisam H. Muragaa, Kamaruzzaman Seman, Mohd Fadzli Marhusin

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Software Defined Networking (SDN) is a paradigm designed to facilitate the way of controlling the network dynamically and with more agility. Network traffic is a set of flows, each of which contains a set of packets. In SDN, a matching process is performed on every packet coming to the network in the SDN switch. Only the headers of the new packets will be forwarded to the SDN controller. In terminology, the flow header fields are called tuples. Basically, these tuples are 5-tuple: the source and destination IP addresses, source and destination ports, and protocol number. This flow information is used to provide an overview of the network traffic. Our module is meant to extract this 5-tuple with the packets and flows numbers and show them as a list. Therefore, this list can be used as a first step in the way of detecting the DDoS attack. Thus, this module can be considered as the beginning stage of any flow-based DDoS detection method.

Keywords: Matching, OpenFlow tables, POX controller, SDN, table-miss.

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Authors: Waqar Shahid Qureshi, Abu-Baqar Nisar Alvi

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Vision based tracking problem is solved through a combination of optical flow, MACH filter and log r-θ mapping. Optical flow is used for detecting regions of movement in video frames acquired under variable lighting conditions. The region of movement is segmented and then searched for the target. A template is used for target recognition on the segmented regions for detecting the region of interest. The template is trained offline on a sequence of target images that are created using the MACH filter and log r-θ mapping. The template is applied on areas of movement in successive frames and strong correlation is seen for in-class targets. Correlation peaks above a certain threshold indicate the presence of target and the target is tracked over successive frames.

Keywords: Correlation filters, optical flow, log r-θ mapping.

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Authors: Yin-Ching Keung, Kit-Lun Yick

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The issue of bra fitting has persisted throughout history despite advancements in molded bra cups. To gain a deeper understanding of the interaction between the breast and bra pattern, this study combines the art of traditional bra patternmaking with 3D body scanning technology. By employing a 2D bra pattern drafting method and analyzing the effect of body shape on the desired bra cup shape, the study focuses on the differentiation of the lower cup among bras designed for flat and round body-shaped breasts. The results shed light on the impact of body shape on bra fit and provide valuable insights for further research and improvements in bra design, pattern drafting, and fit. The integration of 3D body scanning technology enhances the accuracy and precision of measurements, allowing for a more comprehensive analysis of the unique contours and dimensions of the breast and body. Ultimately, the study aims to provide individuals with different body shapes a more comfortable and well-fitted bra-wearing experience, contributing to the ongoing efforts to alleviate the longstanding problem of bra fitting.

Keywords: Breast shapes, bra fitting, 3D body scanning, bra patternmaking.

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Authors: Suwimon Saneewong Na Ayuttaya

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This paper presents a numerical investigation of electrically driven flow for enhancing convective heat transfer in a channel flow. This study focuses on the electrode arrangements, number of electrode and electrical voltage on Electrohydrodynamics (EHD) and effect of airflow driven on solid sample surface. The inlet airflow and inlet temperature are 0.35 m/s and 60 ^oC, respectively. High electrical voltage is tested in the range of 0-30 kV and number of electrode is tested in the range of 1-5. The numerical results show that electric field intensity is depended on electrical voltage and number of electrode. Increasing number of electrodes is increased shear flow, so swirling flow is increased. The swirling flows from aligned and staggered arrangements are affecting within the solid sample. When electrical voltage is increased, temperature distribution and convective heat transfer on the solid sample are significantly increased due to the electric force much stronger.

Keywords: Electrohydrodynamics, swirling flow, convective heat transfer, solid sample.

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Authors: Rami Darwish

Abstract:

The transport industry is transitioning to sustainable industrial systems to meet its environmental targets. At the heart of this transition lies the electrification of bus systems, which involves the introduction and testing of sustainable technologies in protected environments for customer evaluation. While the transition necessitates business-model innovation, practical implementation has proven to be complex. This article delves into efforts to present the business model of a bus operator engaged in public procurement with the goal of facilitating the industry's shift towards electrification. Through an in-depth case study, the influence of public contracts’ design on the evolution of a technology and the operator's business model for electrification is explored. While the extant literature suggests that public procurement can facilitate business-model innovation and sustainable development, the findings reveal that public-contract design can limit value creation and value capture in potential business models, locking organizations into existing business models and hindering the socio-technical transition to sustainability. Interestingly, public-procurement contract design can play a pivotal role in preventing sustainable innovations from breaking through. This highlights the importance of contract design as a vehicle for dialogue between businesses and authorities that can enable systemic change. The case study also illuminates a paradoxical scenario in which the transport authority was required to reconcile the efficiency and stability required for bus transport with the potential benefits of electrification technologies promising sustainability. Finally, recommendations for navigating and addressing this tension are provided. The implications of these findings extend to the literature on discontinuous innovation and business-model innovation.

Keywords: Sustainable transition, public procurement, business-model innovation, discontinuous innovation, lock-in.

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Authors: Mukesh Kumar Awasth, Mohammad Tamsir

Abstract:

The effect of porous medium on the capillary instability of a cylindrical interface in the presence of axial electric field has been investigated using viscous potential flow theory. In viscous potential flow, the viscous term in Navier-Stokes equation vanishes as vorticity is zero but viscosity is not zero. Viscosity enters through normal stress balance in the viscous potential flow theory and tangential stresses are not considered. A dispersion relation that accounts for the growth of axisymmetric waves is derived and stability is discussed theoretically as well as numerically. Stability criterion is given by critical value of applied electric field as well as critical wave number. Various graphs have been drawn to show the effect of various physical parameters such as electric field, viscosity ratio, permittivity ratio on the stability of the system. It has been observed that the axial electric field and porous medium both have stabilizing effect on the stability of the system.

Keywords: Capillary instability, Viscous potential flow, Porous media, Axial electric field.

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Authors: Ehan Sabah Shukri, Wirachman Wisnoe

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Numerical study is performed to investigate the temperature distribution in an annular diffuser fitted with helical tape hub. Different pitches (Y = 20 mm, and Y = 30 mm) for the helical tape are studied with different heights (H = 20 mm, 22 mm, and 24 mm) to be compared. The geometry of the annular diffuser and the inlet condition for both hub arrangements are kept constant. The result obtains that using helical tape insert with different pitches and different heights will force the temperature to distribute in a helical direction; however the use of helical tape hub with height (H = 22 mm) for both pitches enhance the temperature distribution in a good manner.

Keywords: Helical tape, divergent fluid flow, temperature distribution, swirl flow, CFD.

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Authors: M. A. At-Tasneem, N. T. Rao, T. M. Y. S. Tuan Ya, M. S. Idris, M. Ammar

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River flow over micro hydro power (MHP) turbines of multiple arrays arrangement is simulated with computational fluid dynamics (CFD) software to obtain the flow characteristics. In this paper, CFD software is used to simulate the water flow over MHP turbines as they are placed in a river. Multiple arrays arrangement of MHP turbines lead to generate large amount of power. In this study, a river model is created and simulated in CFD software to obtain the water flow characteristic. The process then continued by simulating different types of arrays arrangement in the river model. A MHP turbine model consists of a turbine outer body and static propeller blade in it. Five types of arrangements are used which are parallel, series, triangular, square and rhombus with different spacing sizes. The velocity profiles on each MHP turbines are identified at the mouth of each turbine bodies. This study is required to obtain the arrangement with increasing spacing sizes that can produce highest power density through the water flow variation.

Keywords: Micro hydro power, CFD, arrays arrangement, spacing sizes, velocity profile, power.

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Authors: Sergey I. Shtork, Aleksey P. Vinokurov, Sergey V. Alekseenko

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The paper reports on the results of experimental and numerical study of nonstationary swirling flow in an isothermal model of vortex burner. It has been identified that main source of the instability is related to a precessing vortex core (PVC) phenomenon. The PVC induced flow pulsation characteristics such as precession frequency and its variation as a function of flowrate and swirl number have been explored making use of acoustic probes. Additionally pressure transducers were used to measure the pressure drops on the working chamber and across the vortex flow. The experiments have been included also the mean velocity measurements making use of a laser-Doppler anemometry. The features of instantaneous flowfield generated by the PVC were analyzed employing a commercial CFD code (Star-CCM+) based on Detached Eddy Simulation (DES) approach. Validity of the numerical code has been checked by comparison calculated flowfield data with the obtained experimental results. It has been confirmed particularly that the CFD code applied correctly reproduces the flow features.

Keywords: Acoustic probes, detached eddy simulation (DES), laser-Doppler anemometry (LDA), precessing vortex core (PVC).

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Authors: A. Ouanane, A. Serir

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In this paper, a novel algorithm based on Ridgelet Transform and support vector machine is proposed for human action recognition. The Ridgelet transform is a directional multi-resolution transform and it is more suitable for describing the human action by performing its directional information to form spatial features vectors. The dynamic transition between the spatial features is carried out using both the Principal Component Analysis and clustering algorithm K-means. First, the Principal Component Analysis is used to reduce the dimensionality of the obtained vectors. Then, the kmeans algorithm is then used to perform the obtained vectors to form the spatio-temporal pattern, called set-of-labels, according to given periodicity of human action. Finally, a Support Machine classifier is used to discriminate between the different human actions. Different tests are conducted on popular Datasets, such as Weizmann and KTH. The obtained results show that the proposed method provides more significant accuracy rate and it drives more robustness in very challenging situations such as lighting changes, scaling and dynamic environment

Keywords: Human action, Ridgelet Transform, PCA, K-means, SVM.

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Authors: S. Pattnaik, A. K. Panda, Aroul K., K. K. Mahapatra

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This paper proposes a zero-voltage transition (ZVT) PWM synchronous buck converter, which is designed to operate at low output voltage and high efficiency typically required for portable systems. To make the DC-DC converter efficient at lower voltage, synchronous converter is an obvious choice because of lower conduction loss in the diode. The high-side MOSFET is dominated by the switching losses and it is eliminated by the soft switching technique. Additionally, the resonant auxiliary circuit designed is also devoid of the switching losses. The suggested procedure ensures an efficient converter. Theoretical analysis, computer simulation, and experimental results are presented to explain the proposed schemes.

Keywords: DC-DC Converter, Switching loss, Synchronous Buck, Soft switching, ZVT.

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Authors: F. J. Sowiński, M. Dziubiński

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In the study the influence of the physical-chemical properties of a liquid, the width of a channel gap and the superficial liquid and gas velocities on the patterns formed during two phase flows in vertical, narrow mini-channels was investigated. The research was performed in the channels of rectangular cross-section and of dimensions: 15 x 0.65 mm and 7.5 x 0.73 mm. The experimental data were compared with the published criteria of the transitions between the patterns of two-phase flows.

Keywords: Two-phase flow, flow regimes, mini-channel, viscosity.

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Authors: Xingxun Li, Xianfeng Fan

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Multiphase flow transport in porous medium is very common and significant in science and engineering applications. For example, in CO2 Storage and Enhanced Oil Recovery processes, CO2 has to be delivered to the pore spaces in reservoirs and aquifers. CO2 storage and enhance oil recovery are actually displacement processes, in which oil or water is displaced by CO2. This displacement is controlled by pore size, chemical and physical properties of pore surfaces and fluids, and also pore wettability. In this study, a technique was developed to measure the pressure profile for driving gas/liquid to displace water in pores. Through this pressure profile, the impact of pore size on the multiphase flow transport and displacement can be analyzed. The other rig developed can be used to measure the static and dynamic pore wettability and investigate the effects of pore size, surface tension, viscosity and chemical structure of liquids on pore wettability.

Keywords: Enhanced oil recovery, Multiphase flow, Pore size, Pore wettability

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Authors: Pakorn Uttayopas, Chawalit Kittichaikarn

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This paper presents an experimental investigation for the characteristics of an energy harvesting device exploiting flow-induced vibration in a wind tunnel. A stationary bluff body is connected with a downstream tip body via an aluminium cantilever beam. Various lengths of aluminium cantilever beam and different shapes of downstream tip body are considered. The results show that the characteristics of the energy harvester’s vibration depend on both the length of the aluminium cantilever beam and the shape of the downstream tip body. The highest ratio between vibration amplitude and bluff body diameter was found to be 1.39 for an energy harvester with a symmetrical triangular tip body and L/D₁ = 5 at 9.8 m/s of flow speed (Re = 20077). Using this configuration, the electrical energy was extracted with a polyvinylidene fluoride (PVDF) piezoelectric beam with different load resistances, of which the optimal value could be found on each Reynolds number. The highest power output was found to be 3.19 µW, at 9.8 m/s of flow speed (Re = 20077) and 27 MΩ of load resistance.

Keywords: Downstream structures, energy harvesting, flow-induced vibration, piezoelectric material, wind tunnel.

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Authors: Amir Mahmoudi

Abstract:

In this research the effects of adding silica and alumina nanoparticles on flow ability and compressive strength of cementitious composites based on Portland cement were investigated. In the first stage, the rheological behavior of different samples containing nanosilica, nanoalumina and polypropylene, polyvinyl alcohol and polyethylene fibers were evaluated. With increasing of nanoparticles in fresh samples, the slump flow diameter reduced. Fibers reduced the flow ability of the samples and viscosity increased. With increasing of the micro silica particles to cement ratio from 2/1 to 2/2, the slump flow diameter increased. By adding silica and alumina nanoparticles up to 3% and 2% respectively, the compressive strength increased and after decreased. Samples containing silica nanoparticles and fibers had the highest compressive strength.

Keywords: Portland cement, Composite, Nanoparticles, Compressive Strength.

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Authors: Sanghoon Park, Ki-Jin Kim, Kwang-Ho Ahn

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This paper discusses the undesirable charge transfer through the parasitic capacitances of the input transistors in a multi-inputs voltage sense amplifier. Its intrinsic rail-to-rail voltage transitions at the output nodes inevitably disturb the input sides through the capacitive coupling between the outputs and inputs. Then, it can possible degrade the stabilities of the reference voltage levels. Moreover, it becomes more serious in multi-channel systems by altering them for other channels, and so degrades the linearity of the overall systems. In order to alleviate the internal node voltage transition, the internal node stabilization techniques are proposed. It achieves 45% and 40% improvements for node stabilization and input referred disturbance, respectively.

Keywords: Voltage sense amplifier, multi-inputs, voltage transition, node stabilization, and biasing circuits.

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Authors: M. Oloomi-Buygi, M. Reza Salehizadeh

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In this paper a new approach for transmission pricing is presented. The main idea is voltage angle allocation, i.e. determining the contribution of each contract on the voltage angle of each bus. DC power flow is used to compute a primary solution for angle decomposition. To consider the impacts of system non-linearity on angle decomposition, the primary solution is corrected in different iterations of decoupled Newton-Raphson power flow. Then, the contribution of each contract on power flow of each transmission line is computed based on angle decomposition. Contract-related flows are used as a measure for “extent of use" of transmission network capacity and consequently transmission pricing. The presented approach is applied to a 4-bus test system and IEEE 30-bus test system.

Keywords: Deregulation, Power electric markets, Transmission pricing methodologies, decoupled Newton-Raphson power flow.

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Authors: Gürol Önal, Kevser Dincer

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In this experimental study, performance of a counter flow Ranque-Hilsch vortex tube (RHVT) with threads cut on its inner surface was investigated experimentally (pitch is 1 and 2 mm). The inner diameter of the vortex tube used was D=9 mm and the ratio of the tube’s length to diameter was L/D=12. The experimental system was a thermodynamic open system. Flow was controlled by a valve on the hot outlet side, where the valve was changed from a nearly closed position to its nearly open position. Fraction of cold flow (ξ) = 0.1-0.9, was determined under 300 and 350 kPa pressurized air. All experimental data were compared with each other, the maximum heating performance of the RHVT system was found to be 38.2 oC and the maximum cooling performance of the RHVT in this study was found to be -30.9 oC at pitch 1 mm.

Keywords: Ranque-Hilsch vortex tube, heating, cooling, temperature separation.

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Authors: Tran Trong Thang, Nguyen Phan Kien, Trinh Quang Duc

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The phased-array ultrasound transducer types are utilities for medical ultrasonography as well as optical imaging. However, their discontinuity characteristic limits the applications due to the artifacts contaminated into the reconstructed images. Because of the effects of the ultrasound pressure field pattern to the echo ultrasonic waves as well as the optical modulated signal, the side lobes of the focused ultrasound beam induced by discontinuity of the phased-array ultrasound transducer might the reason of the artifacts. In this paper, a simple method in approach of numerical simulation was used to investigate the limitation of discontinuity of the elements in phased-array ultrasound transducer and their effects to the ultrasound pressure field. Take into account the change of ultrasound pressure field patterns in the conditions of variation of the pitches between elements of the phased-array ultrasound transducer, the appropriated parameters for phased-array ultrasound transducer design were asserted quantitatively.

Keywords: Phased-array ultrasound transducer, sound pressure pattern, discontinuous sound field, numerical visualization.

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Authors: Cosmin Rablou

Abstract:

In this paper we present a way of controlling the concurrent access to data in a distributed application using the Pessimistic Offline Lock design pattern. In our case, the application processes a complex entity, which contains in a hierarchical structure different other entities (objects). It will be shown how the complex entity and the contained entities must be locked in order to control the concurrent access to data.

Keywords: Object-oriented programming, Pessimistic Lock, Design pattern, Concurrent access to data, Processing complex entities

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Authors: W. Paraguassu, S. Guerini, C. M. R. Remédios, P. T. C. Freire

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High Pressure Raman scattering measurements of KDP:Mn were performed at room temperatures. The X-ray powder diffraction patterns taken at room temperature by Rietveld refinement showed that doped samples of KDP-Mn have the same tetragonal structure of a pure KDP crystal, but with a contraction of the crystalline cell. The behavior of the Raman spectra, in particular the emergence of a new modes at 330 cm-1, indicates that KDP:Mn undergoes a structural phase transition with onset at around 4 GP. First principle density-functional theory (DFT) calculations indicate that tetrahedral rotation with pressure is predominantly around the c crystalline direction. Theoretical results indicates that pressure induced tetrahedral rotations leads to change tetrahedral neighborhood, activating librations/bending modes observed for high pressure phase of KDP:Mn with stronger Raman activity.

Keywords: Dipotassium molybdate, High pressure, Raman scattering, Phase transition, ab initio

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