Search results for: Hollow sphere structure foam

Authors: Mircea Pastrav, Horia Constantinescu

Abstract:

The construction industry is currently trying to develop sustainable reinforced concrete structures. In trying to aid in the effort, the research presented in this paper aims to prove the efficiency of modified special hybrid moment frames composed of discretely jointed precast and post-tensioned concrete members. This aim is due to the fact that current design standards do not cover the spatial design of moment frame structures assembled by post-tensioning with special hybrid joints. This lack of standardization is coupled with the fact that previous experimental programs, available in scientific literature, deal mainly with plane structures and offer little information regarding spatial behavior. A spatial model of a modified hybrid moment frame is experimentally analyzed. The experimental results of a natural scale model test of a corner column-beams sub-structure, cut from an actual multilevel building tested to seismic type loading are presented in order to highlight the behavior of this type of structure. The test is performed under alternative cycles of imposed lateral displacements, up to a storey drift ratio of 0.035. Seismic response of the spatial model is discussed considering the acceptance criteria for reinforced concrete frame structures designed based on experimental tests, as well as some of its major sustainability features. The results obtained show an overall excellent behavior of the system. The joint detailing allows for quick and cheap repairs after an accidental event and a self-balancing behavior of the system that ensures it can be used almost immediately after an accidental event it.

Keywords: Modified hybrid joint, seismic type loading response, self-balancing structure, acceptance criteria.

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Authors: Muhammad Yasir Wadood, Fatemeh Babaeian

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By developing ultra-wideband (UWB) systems, there is a high demand for UWB filters with low insertion loss, wide bandwidth, and having a planar structure which is compatible with other components of the UWB system. A microstrip interdigital filter is a great option for designing UWB filters. However, the presence of via holes in this structure creates difficulties in the fabrication procedure of the filter. Especially in the higher frequency band, any misalignment of the drilled via hole with the Microstrip stubs causes large errors in the measurement results compared to the desired results. Moreover, in this case (high-frequency designs), the line width of the stubs are very narrow, so highly precise small via holes are required to be implemented, which increases the cost of fabrication significantly. Also, in this case, there is a risk of having fabrication errors. To combat this issue, in this paper, a via-less UWB microstrip filter is proposed which is designed based on a modification of a conventional inter-digital bandpass filter. The novel approaches in this filter design are 1) replacement of each via hole with a quarter-wavelength open circuit stub to avoid the complexity of manufacturing, 2) using a bend structure to reduce the unwanted coupling effects and 3) minimising the size. Using the proposed structure, a UWB filter operating in the frequency band of 3.9-6.6 GHz (1-dB bandwidth) is designed and fabricated. The promising results of the simulation and measurement are presented in this paper. The selected substrate for these designs was Rogers RO4003 with a thickness of 20 mils. This is a common substrate in most of the industrial projects. The compact size of the proposed filter is highly beneficial for applications which require a very miniature size of hardware.

Keywords: Band-pass filters, inter-digital filter, microstrip, via-less.

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Authors: Randeep Kaur, Jyoti Ohri

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This paper proposes a new technique to design a fixed-structure robust loop shaping controller for the pneumatic servosystem. In this paper, a new method based on a particle swarm optimization (PSO) algorithm for tuning the weighting function parameters to design an H∞ controller is presented. The PSO algorithm is used to minimize the infinity norm of the transfer function of the nominal closed loop system to obtain the optimal parameters of the weighting functions. The optimal stability margin is used as an objective in PSO for selecting the optimal weighting parameters; it is shown that the proposed method can simplify the design procedure of H∞ control to obtain optimal robust controller for pneumatic servosystem. In addition, the order of the proposed controller is much lower than that of the conventional robust loop shaping controller, making it easy to implement in practical works. Also two-degree-of-freedom (2DOF) control design procedure is proposed to improve tracking performance in the face of noise and disturbance. Result of simulations demonstrates the advantages of the proposed controller in terms of simple structure and robustness against plant perturbations and disturbances.

Keywords: Robust control, Pneumatic Servosystem, PSO, H∞ control, 2DOF.

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Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa

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A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.

Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.

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Authors: M. Challal, F. Labu, M. Dehmas, A. Azrar

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In this paper, three types of defected ground structure (DGS) units which are triangular-head (TH), rectangular-head (RH) and U-shape (US) are investigated. They are further used to low-pass and band-pass filters designs (LPF and BPF) and the obtained performances are examined. The LPF employing RH-DGS geometry presents the advantages of compact size, low-insertion loss and wide stopband compared to the other filters. It provides cutoff frequency of 2.5 GHz, largest rejection band width of 20 dB from 2.98 to 8.76 GHz, smallest transition region and smallest sharpness of the cutoff frequency. The BPF based on RH-DGS has the highest bandwidth (BW) of about 0.74 GHz and the lowest center frequency of 3.24 GHz, whereas the other BPFs have BWs less than 0.7 GHz.

Keywords: Defected ground structure (DGS), triangular-head(TH) DGS, rectangular-head (RH) DGS, U-shape (US) DGS, lowpassfilter (LPF) and band-pass filter (BPF).

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Authors: Evariste Norbert Boj, Jan Schee

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We present the calculations of the temperature anisotropy of the cosmic microwave background radiation (CMBR) caused by an inhomogeneous region (the clump) within the Friedmann-Lemaitre-Robertson-Walker (FLRW) model of the Universe build in the framework of the Randall-Sundrum one brane model. We present two spherically symmetrical and statical models of the clump, the braneworld Reissner-Nordstrom black hole (bRNBH) and the perfect fluid sphere of uniform density matched to the FLRW spacetime via an external bRNBH. The boundary of the vacuum region expands, which induces an additional frequency shift to a photon of the CMBR passing through this inhomogeneity in comparison to the case of a photon propagating through a pure FLRW spacetime. This frequency shift is associated with an effective change of temperature of the CMBR in the corresponding direction. We give estimates on the changes of the effective temperature of the CMBR’s photon with the change of parameters describing the brane and the induced tidal forces from the bulk.

Keywords: Braneworld, CMBR, Randall-Sundrum model, Rees-Sciama effect, Reissner-Nordstrom black hole.

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Authors: Eui-Hak Lee, Jae-Hyun Ro, Hyoung-Kyu Song

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In internet of things (IoT) system, the communication scheme with reliability and low power is required to connect a terminal. Cooperative communication can achieve reliability and lower power than multiple-input multiple-output (MIMO) system. Cooperative communication increases the reliability with low power, but decreases a throughput. It has a weak point that the communication throughput is decreased. In this paper, a novel scheme is proposed to increase the communication throughput. The novel scheme is a transmission structure that increases transmission rate. A decoding scheme according to the novel transmission structure is proposed. Simulation results show that the proposed scheme increases the throughput without bit error rate (BER) performance degradation.

Keywords: Cooperative communication, IoT, STBC, Transmission rate.

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Authors: Ardhendu Behera, Denis Lalanne, Rolf Ingold

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This paper proposes a method, combining color and layout features, for identifying documents captured from low-resolution handheld devices. On one hand, the document image color density surface is estimated and represented with an equivalent ellipse and on the other hand, the document shallow layout structure is computed and hierarchically represented. Our identification method first uses the color information in the documents in order to focus the search space on documents having a similar color distribution, and finally selects the document having the most similar layout structure in the remaining of the search space.

Keywords: Document color modeling, document visualsignature, kernel density estimation, document identification.

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Authors: Phongsak Phakamach

Abstract:

A DC servomotor position control system using a Fuzzy Logic Sliding mode Model Following Control or FLSMFC approach is presented. The FLSMFC structure consists of an integrator and variable structure system. The integral control is introduced into it in order to eliminated steady state error due to step and ramp command inputs and improve control precision, while the fuzzy control would maintain the insensitivity to parameter variation and disturbances. The FLSMFC strategy is implemented and applied to a position control of a DC servomotor drives. Experimental results indicated that FLSMFC system performance with respect to the sensitivity to parameter variations is greatly reduced. Also, excellent control effects and avoids the chattering phenomenon.

Keywords: Sliding mode model following control, fuzzy logic, DC servomotor.

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Authors: Kahil Amar, Nekmouche Aghiles, Titouche Billal, Hamizi Mohand, Hannachi Naceur Eddine

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The ductility is an important parameter in the nonlinear behavior of portal structures reinforced concrete. It may be explained by the ability of the structure to deform in the plastic range, or the geometric characteristics in the map may influence the overall ductility. Our study is based on the influence of geometric slenderness (Lx / Ly) on the overall ductility of these structures, a study is made on a structure has 05 floors with varying the column section of 900 cm², 1600 cm² and 1225 cm². A slight variation in global ductility is noticed as (Lx/Ly) varies; however, column sections can control satisfactorily the plastic behavior of buildings.

Keywords: Ductility, nonlinear behavior, pushover analysis, geometric slenderness, structural behavior.

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Authors: Liu Shengnan, Sun Liping, Zhu Jianxun

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Based on three dimensional potential flow theory and hinged rigid body motion equations, structure RAOs of Pelamis wave energy converter is analyzed. Analysis of numerical simulation is carried out on Pelamis in the irregular wave conditions, and the motion response of structures and total generated power is obtained. The paper analyzes influencing factors on the average power including diameter of floating body, section form of floating body, draft, hinged stiffness and damping. The optimum parameters are achieved in Zhejiang Province. Compared with the results of the pelamis experiment made by Glasgow University, the method applied in this paper is feasible.

Keywords: Pelamis, Hinge, Floating multibody, Wave energy

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Authors: A. Amar, O. Hemeda

Abstract:

A study of the structure of the nucleus with the analogy by solid-state physics has been developed. We have used binding energy to calculate R (a parameter that is proportional to the radius of the nucleus) for deuteron, alpha, and ⁸Be. The calculated parameter r calculated from solid state physics produces a probe for calculation the nuclear radii. ⁸Be has special attention as it is radioactive nucleus and the latest nucleus to be calculated from crystalline model approach. The distribution of nucleons inside the nucleus is taken to be tetrahedral for ¹⁶O. The model has failed to expect the radius of ⁹Be which is an impression about the modification should be done on the model at near future. A comparison between our calculations and those from literature has been made, and a good agreement has been obtained.

Keywords: The structure of the nucleus, binding energy, crystalline model approach, nuclear radii, tetrahedral for 16O.

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Authors: Yashvir Singh, Mayank Joshi

Abstract:

A lateral trench-gate power metal-oxide-semiconductor on 4H-SiC is proposed. The device consists of two separate trenches in which two gates are placed on both sides of P-body region resulting two parallel channels. Enhanced current conduction and reduced-surface-field effect in the structure provide substantial improvement in the device performance. Using two dimensional simulations, the performance of proposed device is evaluated and compare of with that of the conventional device for same cell pitch. It is demonstrated that the proposed structure provides two times higher output current, 11% decrease in threshold voltage, 70% improvement in transconductance, 70% reduction in specific ON-resistance, 52% increase in breakdown voltage, and nearly eight time improvement in figure-of-merit over the conventional device.

Keywords: 4H-SiC, lateral, trench-gate, power MOSFET.

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Authors: Hongzhi Wang, Jianzhong Li, Hong Gao

Abstract:

XML is an important standard of data exchange and representation. As a mature database system, using relational database to support XML data may bring some advantages. But storing XML in relational database has obvious redundancy that wastes disk space, bandwidth and disk I/O when querying XML data. For the efficiency of storage and query XML, it is necessary to use compressed XML data in relational database. In this paper, a compressed relational database technology supporting XML data is presented. Original relational storage structure is adaptive to XPath query process. The compression method keeps this feature. Besides traditional relational database techniques, additional query process technologies on compressed relations and for special structure for XML are presented. In this paper, technologies for XQuery process in compressed relational database are presented..

Keywords: XML, compression, query processing

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Authors: Inamullah Bhatti, Khadija Qureshi, R. A. Kazi, Abdul Khalique Ansari

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Activated carbon was prepared from agricultural waste “almond (Prunus amygdalus) nut shells" by chemical activation with phosphoric acid as an activating agent at 450 °C for 24 hr soaking time. The physical and chemical properties were analyzed. The adsorption of chromium VI from aqueous solution on almond nut shell activated carbon (ASAC) was investigated. The adsorption process parameters pH, agitation speed, agitation time, adsorbent dose were optimized. 98% of Cr VI was sorbed at pH 2 and stirring speed 200 rpm.. Surface structure showed that ASAC has a spongy type structure showing large number of pores

Keywords: adsorption, sorbent , sorbate and activation

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Authors: M. A. Adeboyejo, O. O. Adeosun

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Pioneer networked systems assume that connections are reliable, and a faulty operation will be considered in case of losing a connection. Transient connections are typical of mobile devices. Areas of application of data sharing system such as these, lead to the conclusion that network connections may not always be reliable, and that the conventional approaches can be improved. Nigerian commercial banking industry is a critical system whose operation is increasingly becoming dependent on information technology (IT) driven information system. The proposed solution to this problem makes use of a hierarchically clustered network structure which we selected to reflect (as much as possible) the typical organizational structure of the Nigerian commercial banks. Representative transactions such as data updates and replication of the results of such updates were used to simulate the proposed model to show its applicability.

Keywords: Dependability, reliability, data redundancy.

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Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

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Exposure to ionizing radiation has been found to induce changes in poly(vinylidene fluoride) (PVDF) homopolymers. The high dose gamma irradiation process induces the formation of C=C and C=O bonds in its [CH₂-CF₂]_n main chain. The irradiation also provokes crosslinking and chain scission. All these radio-induced defects lead to changes in the PVDF crystalline structure. As a consequence, it is common to observe a decrease in the melting temperature (T_M) and melting latent heat (L_M) and some changes in its ferroelectric features. We have investigated the possibility of preparing nanocomposites of PVDF with graphene oxide (GO) through the radio-induction of molecular bonds. In this work, we discuss how the gamma radiation interacts with the nanocomposite crystalline structure.

Keywords: Gamma irradiation, grapheme oxide, nanocomposites, PVDF.

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Authors: M. H. Al-Mansoori, W. S. Al-Ghaithi, F. N. Hasoon

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In this paper, we experimentally investigate the performance of an efficient high gain triple-pass L-band Erbium-Doped Fiber (EDF) amplifier structure with a single pump source. The amplifier gain and noise figure variation with EDF pump power, input signal power and wavelengths have been investigated. The generated backward Amplified Spontaneous Emission (ASE) noise of the first amplifier stage is suppressed by using a tunable band-pass filter. The amplifier achieves a signal gain of 55 dB with low noise figure of 3.8 dB at -50 dBm input signal power. The amplifier gain shows significant improvement of 12.8 dB compared to amplifier structure without ASE suppression.

Keywords: Optical amplifiers, EDFA, L-band, optical networks.

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Authors: F. Hejazi, J. Noorzaei, M. S. Jaafar, A. A. Abang Abdullah

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This paper describes the development of a numerical finite element algorithm used for the analysis of reinforced concrete structure equipped with shakes energy absorbing device subjected to earthquake excitation. For this purpose a finite element program code for analysis of reinforced concrete frame buildings is developed. The performance of developed program code is evaluated by analyzing of a reinforced concrete frame buildings model. The results are show that using damper device as seismic energy dissipation system effectively can reduce the structural response of framed structure during earthquake occurrence.

Keywords: Viscous Damper, finite element, program coding

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Authors: Anas El Amraoui, Abdelkhalek Cheddadi, Mohammed Touhami Ouazzani

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Laminar natural convection in a cylindrical annular cavity filled with air and provided with two fins is studied numerically using the discretization of the governing equations with the Centered Finite Difference method based on the Alternating Direction Implicit (ADI) scheme. The fins are attached to the inner cylinder of radius r_i (hot wall of temperature T_i). The outer cylinder of radius r_o is maintained at a temperature T_o (T_o < T_i). Two values of the dimensionless thickness of the fins are considered: 0.015 and 0.203. We consider a low fin height equal to 0.078 and medium fin heights equal to 0.093 and 0.203. The position of the fin is 0.82π and the radius ratio is equal to 2. The effect of Rayleigh number, Ra, on the flow structure and heat transfer is analyzed for a range of Ra from 10³ to 10⁴. The results for established flow structures and heat transfer at low height indicate that the flow regime that occurs is unicellular for all Ra and fin thickness; in addition, the heat transfer rate increases with increasing Rayleigh number and is the same for both thicknesses. At median fin heights 0.093 and 0.203, the increase of Rayleigh number leads to transitions of flow structure which correspond to significant variations of the heat transfer. The critical Rayleigh numbers, Ra_c.app and Ra_c.disp corresponding to the appearance of the bicellular flow regime and its disappearance, are determined and their influence on the change of heat transfer rate is analyzed.

Keywords: Natural convection, fins, critical Rayleigh number, heat transfer, fluid flow regime, horizontal annulus.

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Authors: V. Precupas, A. Ivan, M. Ivan

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The dome with ribs and rings, which covers the ROMEXPO pavilion from Bucharest, was designed after the collapse of the single layer reticulated dome. In this paper, it was made the checking of the structure, under the dynamic loads with three recorded accelerograms calibrated according to Romanian seismic design code P100-1/2006. Under the action the dynamic loadings, it was made a time-history analysis to determine the zones where the plastic hinges appear, at what accelerations and their position on the structure. The studied dome is formed by 32 spatial semi arches and three rings: one circular ring located at the top of the dome and another two rings, design as trusses, the first near the supports and the second as an intermediate rings above the skylights. Above the skylights up to the top, the dome is tight together with purlins and bracings.

Keywords: dome, dynamic analysis, plastic hinges, time-history

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Authors: S. Sarumathi, N. Shanthi, M. Sharmila

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Over the past epoch a rampant amount of work has been done in the data clustering research under the unsupervised learning technique in Data mining. Furthermore several algorithms and methods have been proposed focusing on clustering different data types, representation of cluster models, and accuracy rates of the clusters. However no single clustering algorithm proves to be the most efficient in providing best results. Accordingly in order to find the solution to this issue a new technique, called Cluster ensemble method was bloomed. This cluster ensemble is a good alternative approach for facing the cluster analysis problem. The main hope of the cluster ensemble is to merge different clustering solutions in such a way to achieve accuracy and to improve the quality of individual data clustering. Due to the substantial and unremitting development of new methods in the sphere of data mining and also the incessant interest in inventing new algorithms, makes obligatory to scrutinize a critical analysis of the existing techniques and the future novelty. This paper exposes the comparative study of different cluster ensemble methods along with their features, systematic working process and the average accuracy and error rates of each ensemble methods. Consequently this speculative and comprehensive analysis will be very useful for the community of clustering practitioners and also helps in deciding the most suitable one to rectify the problem in hand.

Keywords: Clustering, Cluster Ensemble methods, Co-association matrix, Consensus function, Median partition.

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Authors: Mona Taheri

Abstract:

For the purpose of finding the quotient structure of multiple algebras such as groups, Abelian groups and rings, we will state concepts of ( strong or weak ) equalities on multiple algebras, which will lead us to research on how ( strong or weak) are equalities defined on a multiple algebra over the quotients obtained from it. In order to find a quotient structure of multiple algebras such as groups, Abelian groups and loops, a part of this article has been allocated to the concepts of equalities (strong and weak) of the defined multiple functions on multiple algebras. This leads us to do research on how defined equalities (strong and weak) are made in the multiple algebra on its resulted quotient.

Keywords: Multiple algebra, mathematics, universal algebra.

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Authors: Li Zhu, Binghua Wang, Yong Sun

Abstract:

China is experiencing the rural development process, with the agritourism complex becoming one of the significant modes. Therefore, it is imperative to understand the energy performance of agritourism complex. This study focuses on a typical case of the agritourism complex and simulates the energy consumption performance on condition of the regular energy system. It was found that HVAC took 90% of the whole energy demand range. In order to optimize the energy supply structure, the hierarchical analysis was carried out on the level of architecture with three main factors such as construction situation, building types and energy demand types. Finally, the energy planning suggestion of the agritourism complex was put forward and the relevant results were obtained.

Keywords: Agritourism complex, energy planning, energy demand simulation, hierarchical structure model.

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Authors: Guorong Yan, Subhash Rakheja

Abstract:

The liquid cargo contained in a partly-filled road tank vehicle is prone to dynamic slosh movement when subjected to external disturbances. The slosh behavior has been identified as a significant factor impairing the safety of liquid cargo transportation. The laboratory experiments have been conducted for analyzing fluid slosh in partly filled tanks. The experiment results measured under forced harmonic excitations reveal the three-dimensional nature of the fluid motion and coupling between the lateral and longitudinal fluid slosh at resonance. Several spectral components are observed for the transient slosh forces, which can be associated with the excitation, resonance, and beat frequencies. The peak slosh forces and moments in the vicinity of resonance are significantly larger than those of the equivalent rigid mass. Due to the nature of coupling between sloshing fluid and vehicle body, the issue of the dynamic fluid-structure interaction is essential in the analysis of tank-vehicle dynamics. A dynamic pitch plane model of a Tridem truck incorporated the fluid slosh dynamics is developed to analyze the fluid-vehicle interaction under the straight-line braking maneuvers. The results show that the vehicle responses are highly associated with the characteristics of fluid slosh force and moment.

Keywords: Braking performance, fluid induced vibration, fluidslosh, fluid structure interaction, tank trucks, vehicle dynamics.

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Authors: A. Zolfagharian, M.Z. Md. Zain, A. R. AbuBakar, M. Hussein

Abstract:

Application of flexible structures has been significantly, increased in industry and aerospace missions due to their contributions and unique advantages over the rigid counterparts. In this paper, vibration analysis of a flexible structure i.e., automobile wiper blade is investigated and controlled. The wiper generates unwanted noise and vibration during the wiping the rain and other particles on windshield which may cause annoying noise in different ranges of frequency. A two dimensional analytical modeled wiper blade whose model accuracy is verified by numerical studies in literature is considered in this study. Particle swarm optimization (PSO) is employed in alliance with input shaping (IS) technique in order to control or to attenuate the amplitude level of unwanted noise/vibration of the wiper blade.

Keywords: Input shaping, noise reduction, particle swarmoptimization, wiper blade

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Authors: Basheer M. Al-Maqaleh, Kamal K. Bharadwaj

Abstract:

Automated discovery of hierarchical structures in large data sets has been an active research area in the recent past. This paper focuses on the issue of mining generalized rules with crisp hierarchical structure using Genetic Programming (GP) approach to knowledge discovery. The post-processing scheme presented in this work uses flat rules as initial individuals of GP and discovers hierarchical structure. Suitable genetic operators are proposed for the suggested encoding. Based on the Subsumption Matrix(SM), an appropriate fitness function is suggested. Finally, Hierarchical Production Rules (HPRs) are generated from the discovered hierarchy. Experimental results are presented to demonstrate the performance of the proposed algorithm.

Keywords: Genetic Programming, Hierarchy, Knowledge Discovery in Database, Subsumption Matrix.

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Authors: HyunSu Seo, HoYoung Son, Sungjin Kim, WooYoung Jung

Abstract:

In order to understand the seismic behavior of steel frame structure with infill FRP composite panel, simple models for simulation on the steel frame with the panel systems were developed in this study. To achieve the simple design method of the steel framed structure with the damping panel system, 2-D finite element analysis with the springs and dashpots models was conducted in ABAQUS. Under various applied spring stiffness and dashpot coefficient, the expected hysteretic energy responses of the steel frame with damping panel systems we investigated. Using the proposed simple design method which decides the stiffness and the damping, it is possible to decide the FRP and damping materials on a steel frame system.

Keywords: Interface damping layer, steel frame, seismic, FRP.

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Authors: Rafal Michalski, Jakub Zygadlo

Abstract:

We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.

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Authors: Wen-Shyong Tzou, Chih-Ching Huang, Chin-Hwa Hu, Ying-Tsang Lo, Tun-Wen Pai, Chia-Yin Chiang, Chung-Hao Li, Hong-Jyuan Jian

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Plasmin plays an important role in the human circulatory system owing to its catalytic ability of fibrinolysis. The immediate injection of plasmin in patients of strokes has intrigued many scientists to design vectors that can transport plasmin to the desired location in human body. Here we predict the structure of human plasmin and investigate the interaction of plasmin with the gold-nanoparticle. Because the crystal structure of plasminogen has been solved, we deleted N-terminal domain (Pan-apple domain) of plasminogen and generate a mimic of the active form of this enzyme (plasmin). We conducted a simulated annealing process on plasmin and discovered a very large conformation occurs. Kringle domains 1, 4 and 5 had been observed to leave its original location relative to the main body of the enzyme and the original doughnut shape of this enzyme has been transformed to a V-shaped by opening its two arms. This observation of conformational change is consistent with the experimental results of neutron scattering and centrifugation. We subsequently docked the plasmin on the simulated gold surface to predict their interaction. The V-shaped plasmin could utilize its Kringle domain and catalytic domain to contact the gold surface. Our findings not only reveal the flexibility of plasmin structure but also provide a guide for the design of a plasmin-gold nanoparticle.

Keywords: Docking, gold nanoparticle, molecular simulation, plasmin.

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