Search results for: shear loading

Authors: Faruk Fırat Çalım, Nurullah Karaca, Hakan Tacettin Türker

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In this study, out-of-plane free vibrations of a circular rods is investigated theoretically. The governing equations for naturally twisted and curved spatial rods are obtained using Timoshenko beam theory and rewritten for circular rods. Effects of the axial and shear deformations are considered in the formulations. Ordinary differential equations in scalar form are solved analytically by using transfer matrix method. The circular rods of the mass matrix are obtained by using straight rod of consistent mass matrix. Free vibrations frequencies obtained by solving eigenvalue problem. A computer program coded in MATHEMATICA language is prepared. Circular beams are analyzed through various examples for free vibrations analysis. Results are compared with ANSYS results based on finite element method and available in the literature.

Keywords: Circular rod, Out-of-plane free vibration analysis, Transfer Matrix Method.

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Authors: Saeed Delara, Kendra MacKay

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Varying methodologies are considered for pile design for both Russian and Western approaches. Although both approaches rely on toe and side frictional resistances, different calculation methods are proposed to estimate pile capacity. The Western approach relies on compactness (internal friction angle) of soil for cohesionless soils and undrained shear strength for cohesive soils. The Russian approach relies on grain size for cohesionless soils and liquidity index for cohesive soils. Though most recommended methods in the Western approaches are relatively simple methods to predict pile settlement, the Russian approach provides a detailed method to estimate single pile and pile group settlement. Details to calculate pile axial capacity and settlement using the Russian and Western approaches are discussed and compared against field test results.

Keywords: Pile capacity, pile settlement, Russian approach, western approach.

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Authors: Jairo Aparecido Martins, Estaner Claro Romão

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This paper presents the static and cyclic stresses in combination with fatigue analysis resultant of loads applied on the friction discs usually utilized on industrial clutches. The material chosen to simulate the friction discs under load is aluminum. The numerical simulation was done by software COMSOL^TM Multiphysics. The results obtained for static loads showed enough stiffness for both geometries and the material utilized. On the other hand, in the fatigue standpoint, failure is clearly verified, what demonstrates the importance of both approaches, mainly dynamical analysis. The results and the conclusion are based on the stresses on disc, counted stress cycles, and fatigue usage factor.

Keywords: Aluminum, industrial clutch, static and dynamic loading, numerical simulation.

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Authors: Rabah Haoui

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The aim of this work is to analyze a viscous flow around the axisymmetric blunt body taken into account the mesh size both in the free stream and into the boundary layer. The resolution of the Navier-Stokes equations is realized by using the finite volume method to determine the flow parameters and detached shock position. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, CFL coefficient and mesh size level are selected to ensure numerical convergence. The effect of the mesh size is significant on the shear stress and velocity profile. The best solution is obtained with using a very fine grid. This study enabled us to confirm that the determination of boundary layer thickness can be obtained only if the size of the mesh is lower than a certain value limits given by our calculations.

Keywords: Supersonic flow, viscous flow, finite volume, blunt body.

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Authors: S. B. Alavi, G. Cerri, L. Chennaoui, A. Giovannelli, S. Mazzoni

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Power Regeneration in Refrigeration Plant concept has been analyzed and has been shown to be capable of saving about 25% power in Cryogenic Plants with the Power Regeneration System (PRS) running under nominal conditions. The innovative component Compressor Expander Group (CEG) based on turbomachinery has been designed and built modifying CETT compressor and expander, both selected for optimum plant performance. Experiments have shown the good response of the turbomachines to run with R404a as working fluid. Power saving up to 12% under PRS derated conditions (50% loading) has been demonstrated. Such experiments allowed predicting a power saving up to 25% under CEG full load.

Keywords: Compressor, Expander, Power Saving, Refrigeration Plant, Turbine, Turbomachinery Selection, Vapor Pressure Booster.

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Authors: Tao Qu, Chandra Prakash, Vikas Tomar

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The interfaces between organic and inorganic phases in natural materials have been shown to be a key factor contributing to their high performance. This work analyzes crack propagation in a 2-ply laminate subjected to uniaxial tensile mode-I crack propagation loading that has laminate properties derived based on biological material constituents (marine exoskeleton- chitin and calcite). Interfaces in such laminates are explicitly modeled based on earlier molecular simulations performed by authors. Extended finite element method and cohesive zone modeling based simulations coupled with theoretical analysis are used to analyze crack propagation. Analyses explicitly quantify the effect that interface mechanical property variation has on the delamination as well as the transverse crack propagation in examined 2-ply laminates.

Keywords: Chitin, composites, interfaces, fracture.

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Authors: M. Kasumović, A. Hodžić, M. Tešanović

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One way for optimum loading of overdimensioning conveyers is speed (capacity) decrement, with attention for production capabilities and demands. At conveyers which drives with three phase slip-ring induction motor, technically reasonable solution for conveyer (driving motors) speed regulation is using constant torque subsynchronous cascade with static semiconductor converter and transformer for energy reversion to the power network. In the paper is described mathematical model for parameter calculation of two-motors 6 kV subsynchronous cascade. It is also demonstrated that applying of this cascade gave several good properties, foremost in electrical energy saving, also in improving of other energy indexes, and finally that results in cost reduction of complete electrical motor drive.

Keywords: Conveyer with rubber belt, electrical motor drive, sub synchronous cascade

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Authors: A. Tavangari, N. Salehzadeh

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In the crack growth analysis, the Stress Intensity Factor (SIF) is a fundamental prerequisite. In the present study, the mode I stress intensity factor (SIF) of three-dimensional penny- Shaped crack is obtained in an isotropic elastic cylindrical medium with arbitrary dimensions under arbitrary loading at the top of the cylinder, by the semi-analytical method based on the Rayleigh-Ritz method. This method that is based on minimizing the potential energy amount of the whole of the system, gives a very close results to the previous studies. Defining the displacements (elastic fields) by hypothetical functions in a defined coordinate system is the base of this research. So for creating the singularity conditions at the tip of the crack the appropriate terms should be found.

Keywords: Penny-shaped crack, Stress intensity factor, Fracture mechanics, Ritz method.

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Authors: Omar Alhamad, Waleed Eid

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Reinforced concrete is a concrete lined with steel so that the materials work together in the resistance forces. Reinforcement rods or mesh are used for tensile, shear, and sometimes intense pressure in a concrete structure. Reinforced concrete is subject to many natural problems or industrial errors. The result of these problems is that it reduces the efficiency of the reinforced concrete or its usefulness. Some of these problems are cracks, earthquakes, high temperatures or fires, as well as corrosion of reinforced iron inside reinforced concrete. There are also factors of ancient buildings or monuments that require some techniques to preserve them. This research presents some general information about reinforced concrete, the pros and cons of reinforced concrete, and then presents a series of literary studies of some of the late published researches on the subject of reinforced concrete and how to preserve it, propose solutions or treatments for the treatment of reinforced concrete problems, raise efficiency and quality for a longer period. These studies have provided advanced and modern methods and techniques in the field of reinforced concrete.

Keywords: Reinforced concrete, treatment, concrete, corrosion, seismic, cracks.

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Authors: S. H. Mirhossaini, H. Godini, A. Jafari

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Biological Ammonia removal (nitrification), the oxidation of ammonia to nitrate catalyzed by bacteria, is a key part of global nitrogen cycling. In the first step of nitrification, chemolithoautotrophic ammonia oxidizer transform ammonia to nitrite, this subsequently oxidized to nitrate by nitrite oxidizing bacteria. This process can be affected by several factors. In this study the effect of influent COD on biological ammonia removal in a bench-scale biological reactor was investigated. Experiments were carried out using synthetic wastewater. The initial ammonium concentration was 25mgNH4 +-N L-1. The effect of COD between 247.55±1.8 and 601.08±3.24mgL-1 on biological ammonia removal was investigated by varying the COD loading supplied to reactor. From the results obtained in this study it could be concluded in the range of 247.55±1.8 to 351.35±2.05mgL-1, there is a direct relationship between amount of COD and ammonia removal. However more than 351.35±2.05 up to 601.08±3.24mgL-1 were found an indirect relationship between them.

Keywords: Ammonia biological removal, Nitrification, InfluentCOD.

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Authors: K. Yathish, K. G. Binu, B. S. Shenoy, D. S. Rao, R. Pai

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Load carrying capacity of an oil lubricated two-axial groove journal bearing is simulated by taking into account the viscosity variations in lubricant due to the addition of TiO2 nanoparticles as lubricant additive. Shear viscosities of TiO2 nanoparticle dispersions in oil are measured for various nanoparticle additive concentrations. The viscosity model derived from the experimental viscosities is employed in a modified Reynolds equation to obtain the pressure profiles and load carrying capacity of two-axial groove journal bearing. Results reveal an increase in load carrying capacity of bearings operating on nanoparticle dispersions as compared to plain oil.

Keywords: Journal bearing, TiO2 nanoparticles, viscosity model, Reynolds equation, load carrying capacity.

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Authors: H.-G. Herrmann, M. Schwarz, J. Summa, F. Grossmann

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In this work, different non-destructive testing methods for the characterization of defects and interfaces are presented. It is shown that, by means of active thermography, defects in the interface and in the carbon fiber reinforced polymer (CFRP) itself can be detected and determined. The bonding of metal and thermoplastic can be characterized very well by ultrasonic testing with electromagnetic acoustic transducers (EMAT). Mechanical testing is combined with passive thermography to correlate mechanical values with the defect-size. There is also a comparison between active and passive thermography. Mechanical testing shows the influence of different defects. Furthermore, a correlation of defect-size and loading to rupture was performed.

 

Keywords: Defect evaluation, EMAT, mechanical testing, thermography.

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Authors: Taïeb Branci, Djamal Yahmi, Abdelhamid Bouchair, Eric Fourneley

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According to current seismic codes the structures are calculated using the capacity design procedure based on the concept of shear at the base depending on several parameters including behavior factor which is considered to be the most important parameter. The behavior factor allows designing the structure when it is at its ultimate limit state taking into account its energy dissipation through its plastic deformation. The aim of the present study is to assess the basic parameters on which is composed the behavior factor among them the reduction factor due to ductility, and those due to redundancy and the overstrength for steel moment-resisting frames of different heights and regular configuration. Analyses are conducted on these frames using the nonlinear static method where the effect of some parameters on the behavior factor, such as the number of stories and the number of spans, are taken into account. The results show that the behavior factor is rather sensitive to the variation of the number of stories and bays.

Keywords: Behavior, code, frame, ductility, overstrength, redundancy, plastic.

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Authors: P. Varalaxmi, A. Kirubakaran

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This paper presents a thirteen-level asymmetrical cascaded H-bridge single phase inverter. In this configuration, the desired output voltage level is achieved by connecting the DC sources in different combinations by triggering the switches. The modes of operation are explained well for positive level generations. Moreover, a comparison is made with conventional topologies of diode clamped, flying capacitors and cascaded-H-bridge and some recently proposed topologies to show the significance of the proposed topology in terms of reduced part counts. The simulation work has been carried out in MATLAB/Simulink environment. The experimental work is also carried out for lower rating to verify the performance and feasibility of the proposed topology. Further the results are presented for different loading conditions.

Keywords: Multilevel inverter, pulse width modulation, total harmonic distortion, THD.

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Authors: Zakir Husain

Abstract:

This paper presents modeling and analysis of 12-phase distribution static compensator (DSTATCOM), which is capable of balancing the source currents in spite of unbalanced loading and phase outages. In addition to balance the supply current, the power factor can be set to a desired value. The theory of instantaneous symmetrical components is used to generate the twelve-phase reference currents. These reference currents are then tracked using current controlled voltage source inverter, operated in a hysteresis band control scheme. An ideal compensator in place of physical realization of the compensator is used. The performance of the proposed DTATCOM is validated through MATLAB simulation and detailed simulation results are given.

Keywords: DSTATCOM, Modeling, Load balancing, Multiphase, Power factor correction.

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Authors: Maksudur Rahman Khan, Kar Min Chan, Huei Ruey Ong, Chin Kui Cheng, Wasikur Rahman

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Microbial fuel cells (MFCs) represent a promising technology for simultaneous bioelectricity generation and wastewater treatment. Catalysts are significant portions of the cost of microbial fuel cell cathodes. Many materials have been tested as aqueous cathodes, but air-cathodes are needed to avoid energy demands for water aeration. The sluggish oxygen reduction reaction (ORR) rate at air cathode necessitates efficient electrocatalyst such as carbon supported platinum catalyst (Pt/C) which is very costly. Manganese oxide (MnO2) was a representative metal oxide which has been studied as a promising alternative electrocatalyst for ORR and has been tested in air-cathode MFCs. However the single MnO2 has poor electric conductivity and low stability. In the present work, the MnO2 catalyst has been modified by doping Pt nanoparticle. The goal of the work was to improve the performance of the MFC with minimum Pt loading. MnO2 and Pt nanoparticles were prepared by hydrothermal and sol gel methods, respectively. Wet impregnation method was used to synthesize Pt/MnO2 catalyst. The catalysts were further used as cathode catalysts in air-cathode cubic MFCs, in which anaerobic sludge was inoculated as biocatalysts and palm oil mill effluent (POME) was used as the substrate in the anode chamber. The asprepared Pt/MnO2 was characterized comprehensively through field emission scanning electron microscope (FESEM), X-Ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry (CV) where its surface morphology, crystallinity, oxidation state and electrochemical activity were examined, respectively. XPS revealed Mn (IV) oxidation state and Pt (0) nanoparticle metal, indicating the presence of MnO2 and Pt. Morphology of Pt/MnO2 observed from FESEM shows that the doping of Pt did not cause change in needle-like shape of MnO2 which provides large contacting surface area. The electrochemical active area of the Pt/MnO2 catalysts has been increased from 276 to 617 m2/g with the increase in Pt loading from 0.2 to 0.8 wt%. The CV results in O2 saturated neutral Na2SO4 solution showed that MnO2 and Pt/MnO2 catalysts could catalyze ORR with different catalytic activities. MFC with Pt/MnO2 (0.4 wt% Pt) as air cathode catalyst generates a maximum power density of 165 mW/m3, which is higher than that of MFC with MnO2 catalyst (95 mW/m3). The open circuit voltage (OCV) of the MFC operated with MnO2 cathode gradually decreased during 14 days of operation, whereas the MFC with Pt/MnO2 cathode remained almost constant throughout the operation suggesting the higher stability of the Pt/MnO2 catalyst. Therefore, Pt/MnO2 with 0.4 wt% Pt successfully demonstrated as an efficient and low cost electrocatalyst for ORR in air cathode MFC with higher electrochemical activity, stability and hence enhanced performance.

Keywords: Microbial fuel cell, oxygen reduction reaction, Pt/MnO2, palm oil mill effluent, polarization curve.

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Authors: Ram N. Singh, Abraham K. George, Dawood N. Al-Namaani

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The Euler-s equation of motion is extended to include the viscosity stress tensor leading to the formulation of Navier– Stokes type equation. The latter is linearized and applied to investigate the rotational motion or vorticity in a viscous fluid. Relations for the velocity of viscous waves and attenuation parameter are obtained in terms of viscosity (μ) and the density (¤ü) of the fluid. μ and ¤ü are measured experimentally as a function of temperature for two different samples of light and heavy crude oil. These data facilitated to determine the activation energy, velocity of viscous wave and the attenuation parameter. Shear wave velocity in heavy oil is found to be much larger than the light oil, whereas the attenuation parameter in heavy oil is quite low in comparison to light one. The activation energy of heavy oil is three times larger than light oil.

Keywords: Activation Energy, Attenuation, Crude Oil, Navier- Stokes Equation, Viscosity.

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Authors: Y. Parish, F. Najaei Abadi

Abstract:

This paper presents a numerical analysis of the seismic behaviour of earth dams. Analysis is conducted for the solid phase. It may correspond to the response of the dam before water filling. Analysis is conducted for a simple case which concerns the elastic response of the dam. Numerical analyses are conducted using the FLAC3D program. The behaviour of the Shell and core of the dam and the foundation behaviour is assumed to be elastic. Result shows the influence of the variation of the shear modulus of the core and shell on the seismic amplification of the dam. It can be observed that the variation of the shearing modulus of the core leads to a moderate increase in the dynamic amplification and the increase in the shell shearing modulus leads to a significant increase in the dynamic amplification.

Keywords: Numerical, earth dam, seismic, dynamic, core, FLAC3D.

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Authors: N. Dizadji, P. Entezar, A. Shabani

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This study presents energy saving in general-purpose pumps widely used in industrial applications. Such pumps are normally driven by a constant-speed electrical motor which in most applications must support varying load conditions. This is equivalent to saying the loading conditions mismatch the designed optimal energy consumption requirements of the intended application thus resulting in substantial energy losses. In the held experiments it was indicated that combination of mechanical and electrical speed drives can contribute to lower energy consumption in the pump without negatively distorting the required performance indices of a typical centrifugal pump at substantially lower energy consumption. The registered energy savings were recorded to be within the 15-40% margin. It was also indicated that although VSDs are installed at a cost, the financial burden is balanced against the earnings resulting from the associated energy savings.

Keywords: Industrial motors, Pumps, Energy consumption, Energy savings, Variable speed drive.

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Authors: Rohit, S. Vishnuvardhan, P. Gandhi, Nagesh R. Iyer

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The evaluation of energy release rate and centre Crack Opening Displacement (COD) for circumferential Through-Wall Cracked (TWC) pipes is an important issue in the assessment of critical crack length for unstable fracture. The ability to predict crack growth continues to be an important component of research for several structural materials. Crack growth predictions can aid the understanding of the useful life of a structural component and the determination of inspection intervals and criteria. In this context, studies were carried out at CSIR-SERC on Nuclear Power Plant (NPP) piping components subjected to monotonic as well as cyclic loading to assess the damage for crack growth due to low-cycle fatigue in circumferentially TWC pipes.

Keywords: 304LN stainless steel, cyclic J-integral, Elastic- Plastic Fracture Mechanics, J-integral, Through-wall crack

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Authors: Jehnming Lin

Abstract:

In the laser cleavage of glass, the laser is mostly adopted as a heat source to generate a thermal stress state on the substrates. The crack propagation of the soda-lime glass in the laser thermal cleavage with the straight-turning paths was investigated in this study experimentally and numerically. The crack propagation was visualized by a high speed camera with the off-line examination on the micro-crack propagation. The temperature and stress distributions induced by the laser heat source were calculated by ANSYS software based on the finite element method (FEM). With the cutting paths in various turning directions, the experimental and numerical results were in comparison and verified. The fracture modes due to the normal and shear stresses were verified at the turning point of the laser cleavage path. It shows a significant variation of the stress profiles along the straight-turning paths and causes a change on the fracture modes.

Keywords: Laser cleavage, glass, fracture, stress analysis.

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Authors: A.R.Tahmasebi Birgani, M.Hosseinjani Zamenjani, M.R.Isvandzibaei

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Study is on the vibration of thin cylindrical shells made of a functionally gradient material (FGM) composed of stainless steel and nickel is presented. The effects of the FGM configuration are studied by studying the frequencies of FG cylindrical shells. In this case FG cylindrical shell has Nickel on its inner surface and stainless steel on its outer surface. The study is carried out based on third order shear deformation shell theory. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of configurations of the constituent materials on the frequencies. The properties are graded in the thickness direction according to the volume fraction power-law distribution. Results are presented on the frequency characteristics, the influence of the constituent various volume fractions on the frequencies.

Keywords: Nickel, Stainless Steel, Cylindrical shell.

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Authors: N. C. Shahi, Anupama Singh, A. E. Kate

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There was a scenario present day that drying of fresh fruits and vegetables by indirect solar drying by using mechanical device; hence, an effort was made to develop a small scale solar tunnel dryer (STD). Drying of spinach is carried out to analyze the performance of the dryer and to study its drying characteristics. To evaluate the performance of dryer the independent variables were selected as air flow rate, loading density and shade net while collector efficiency, drying efficiency, overall efficiency and specific energy consumption were selected as responses during performing the experiments. The spinach was dried from initial moisture content 88.21-94.04% (w.b.) to final moisture content 3.50-5.13% (w.b.). The drying time considerably reduced as compared to open sun drying of spinach as sun drying took 15 h for drying. The average collector efficiency, drying efficiency and overall efficiency were in the range 28.73-61.15%, 11.63% to 22.13%, and 7.61-14.66%, respectively.

Keywords: Solar dryer, collector efficiency, drying efficiency, spinach.

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Authors: S. C. Kattimani

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This article deals with the analysis of active constrained layer damping (ACLD) of smart multiferroic or magneto-electro-elastic doubly curved shells. The kinematics of deformations of the multiferroic doubly curved shell is described by a layer-wise shear deformation theory. A three-dimensional finite element model of multiferroic shells has been developed taking into account the electro-elastic and magneto-elastic couplings. A simple velocity feedback control law is employed to incorporate the active damping. Influence of layer stacking sequence and boundary conditions on the response of the multiferroic doubly curved shell has been studied. In addition, for the different orientation of the fibers of the constraining layer, the performance of the ACLD treatment has been studied.

Keywords: Active constrained layer damping, doubly curved shells, magneto-electro-elastic, multiferroic composite, smart structures.

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Authors: Zhengyong Liu, Huiqing Ying

Abstract:

GFRG(Glass Fiber Reinforced Gypsum) wall is a green product which can erect a building fast in prefabricated method, but its application to high-rise residential buildings is limited for its poor lateral stiffness. This paper has proposed a modification to GFRG walls structure to increase its lateral stiffness, which aiming to erect small high-rise residential buildings as load-bearing walls. The elastic finite element analysis to it has shown the lateral deformation feature and the distributions of the axial force and the shear force. The analysis results show that the new GFRG reinforced concrete wall can be used for small high-rise residential buildings.

Keywords: GFRG wall, lateral features, elastic analysis, residential building.

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Authors: Hassan A. Alshahrani, Mehdi H. Hojjati

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In order to predict and model wrinkling which is caused by out of plane deformation due to compressive loading in the plane of the material during composite prepregs forming, it is necessary to quantitatively understand the relative magnitude of the bending stiffness. This study aims to examine the bending properties of out-of-autoclave (OOA) thermosetting prepreg under vertical cantilever test condition. A direct method for characterizing the bending behavior of composite prepregs was developed. The results from direct measurement were compared with results derived from an image-processing procedure that analyses the captured image during the vertical bending test. A numerical simulation was performed using ABAQUS to confirm the bending stiffness value.

Keywords: Bending stiffness, out of autoclave prepreg, forming process, numerical simulation.

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Authors: Farid Saeidi, Serkan Dag

Abstract:

In this study, fracture analysis of a fibrous composite laminate with variable fiber spacing is carried out using Jk-integral method. The laminate is assumed to be under thermal loading. Jk-integral is formulated by using the constitutive relations of plane orthotropic thermoelasticity. Developed domain independent form of the Jk-integral is then integrated into the general purpose finite element analysis software ANSYS. Numerical results are generated so as to assess the influence of variable fiber spacing on mode I and II stress intensity factors, energy release rate, and T-stress. For verification, some of the results are compared to those obtained using displacement correlation technique (DCT).

Keywords: Jk-integral, variable fiber spacing, thermoelasticity, t-stress, finite element method, fibrous composite.

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Authors: Thevaneyan K. David, John P. Forth

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Integral Abutment Bridges (IAB) are defined as simple or multiple span bridges in which the bridge deck is cast monolithically with the abutment walls. This kind of bridges are becoming very popular due to different aspects such as good response under seismic loading, low initial costs, elimination of bearings, and less maintenance. However the main issue related to the analysis of this type of structures is dealing with soil-structure interaction of the abutment walls and the supporting piles. Various soil constitutive models have been used in studies of soil-structure interaction in this kind of structures by researchers. This paper is an effort to review the implementation of various finite elements model which explicitly incorporates the nonlinear soil and linear structural response considering various soil constitutive models and finite element mesh.

Keywords: Constitutive Models, FEM, Integral AbutmentBridges, Soil-structure Interactions

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Authors: M. Benachour, N. Benachour, M. Benguediab

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In this paper fatigue crack initiation and propagation in notched plate under constant amplitude loading through tensile residual stress field of 2024 T351 Al-alloy plate were investigated. Residual stress field was generated by plastic deformation using finite element method (FEM) where isotropic hardening in Von Mises model was applied. Simulation of fatigue behavior was made on AFGROW code. It was shown that the fatigue crack initiation and propagation were affected by level of residual stress filed. In this investigation, the presence of tensile residual stresses at notch (hole) reduces considerably the total fatigue life. It was shown that the decreasing in stress reduces the fatigue crack growth rates.

Keywords: Residual stress, fatigue crack initiation, fatigue crack growth, Al-alloy.

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Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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