Search results for: representative volume element

Authors: R. Hasanpour, N. Choupani

Abstract:

This paper studies mixed-mode fracture mechanics in rock based on experimental and numerical analyses. Experiments were performed on sharp-cracked specimens using the modified Arcan specimen test loading device. The modified Arcan specimen test was, in association with a special loading device, an appropriate apparatus for experimental mixed-mode fracture analysis. By varying the loading angle from 0° to 90°, pure mode-I, pure mode-II and a wide range of mixed-mode data were obtained experimentally. Using the finite element results, correction factors applied to the rectangular fracture specimen. By employing experimentally measured critical loads and the aid of the finite element method, mixed-mode fracture toughness for the limestone under consideration determined.

Keywords: Rock Fracture Mechanics, Mixed-mode Loading, Finite Element Analysis, Arcan Test specimen.

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Authors: A. L. Qureshi, A. A. Mahessar, A. Baloch

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Flood wave propagation in river channel flow can be enunciated by nonlinear equations of motion for unsteady flow. It is difficult to find analytical solution of these non-linear equations. Hence, in this paper verification of the finite element model has been carried out against available numerical predictions and field data. The results of the model indicate a good matching with both Preissmann scheme and HEC-RAS model for a river reach of 29km at both sites (15km from upstream and at downstream end) for discharge hydrographs. It also has an agreeable comparison with the Preissemann scheme for the flow depth (stage) hydrographs. The proposed model has also been applying to forecast daily discharges at 400km downstream in the Indus River from Sukkur barrage of Sindh, Pakistan, which demonstrates accurate model predictions with observed the daily discharges. Hence, this model may be utilized for flood warnings in advance.

Keywords: Finite Element Method, Flood Forecasting, HEC-RAS, Indus river.

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Authors: Ali Osman Güney, Bahattin Kanber

Abstract:

In this work, the effect of material type, diameter, orientation and closeness of fibers on the general performance of reinforced vulcanized rubbers are investigated using finite element method with experimental verification. Various fiber materials such as hemp, nylon, polyester are used for different fiber diameters, orientations and closeness. 3D finite element models are developed by considering bonded contact elements between fiber and rubber sheet interfaces. The fibers are assumed as linear elastic, while vulcanized rubber is considered as hyper-elastic. After an experimental verification of finite element results, the developed models are analyzed under prescribed displacement that causes tension. The normal stresses in fibers and shear stresses between fibers and rubber sheet are investigated in all models. Large deformation of reinforced rubber sheet also represented with various fiber conditions under incremental loading. A general assessment is achieved about best fiber properties of reinforced rubber sheets for tension-load conditions.

Keywords: Fiber properties, finite element method, tension-load condition, reinforced vulcanized rubbers.

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Authors: Alireza Fereidooni, Kamran Behdinan, Zouheir Fawaz

Abstract:

The integral form of equations of motion of composite beams subjected to varying time loads are discretized using a developed finite element model. The model consists of a straight five node twenty-two degrees of freedom beam element. The stability analysis of the beams is studied by solving the matrix form characteristic equations of the system. The principle of virtual work and the first order shear deformation theory are employed to analyze the beams with large deformation and small strains. The regions of dynamic instability of the beam are determined by solving the obtained Mathieu form of differential equations. The effects of nonconservative loads, shear stiffness, and damping parameters on stability and response of the beams are examined. Several numerical calculations are presented to compare the results with data reported by other researchers.

Keywords: Finite element beam model, Composite Beams, stability analysis

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Authors: Gülçin Tekin, Fethi Kadıoğlu

Abstract:

In this study, the dynamic analysis of viscoelastic plates with variable thickness is examined. The solutions of dynamic response of viscoelastic thin plates with variable thickness have been obtained by using the functional analysis method in the conjunction with the Gâteaux differential. The four-node serendipity element with four degrees of freedom such as deflection, bending, and twisting moments at each node is used. Additionally, boundary condition terms are included in the functional by using a systematic way. In viscoelastic modeling, Three-parameter Kelvin solid model is employed. The solutions obtained in the Laplace-Carson domain are transformed to the real time domain by using MDOP, Dubner & Abate, and Durbin inverse transform techniques. To test the performance of the proposed mixed finite element formulation, numerical examples are treated.

Keywords: Dynamic analysis, inverse Laplace transform techniques, mixed finite element formulation, viscoelastic plate with variable thickness.

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Authors: C. Juntarasaid, T. Pulngern, S. Chucheepsakul

Abstract:

A formulation of postbuckling analysis of end supported rods under self-weight has been presented by the variational method. The variational formulation involving the strain energy due to bending and the potential energy of the self-weight, are expressed in terms of the intrinsic coordinates. The variational formulation is accomplished by introducing the Lagrange multiplier technique to impose the boundary conditions. The finite element method is used to derive a system of nonlinear equations resulting from the stationary of the total potential energy and then Newton-Raphson iterative procedure is applied to solve this system of equations. The numerical results demonstrate the postbluckled configurations of end supported rods under self-weight. This finite element method based on variational formulation expressed in term of intrinsic coordinate is highly recommended for postbuckling analysis of end-supported rods under self-weight.

Keywords: Variational method, postbuckling, finite element method, intrinsic coordinate.

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Authors: A. M. El Ansary, A. A. El Damatty, A. O. Nassef

Abstract:

The aim of the current study is to develop a numerical tool that is capable of achieving an optimum shape and design of hyperbolic cooling towers based on coupling a non-linear finite element model developed in-house and a genetic algorithm optimization technique. The objective function is set to be the minimum weight of the tower. The geometric modeling of the tower is represented by means of B-spline curves. The finite element method is applied to model the elastic buckling behaviour of a tower subjected to wind pressure and dead load. The study is divided into two main parts. The first part investigates the optimum shape of the tower corresponding to minimum weight assuming constant thickness. The study is extended in the second part by introducing the shell thickness as one of the design variables in order to achieve an optimum shape and design. Design, functionality and practicality constraints are applied.

Keywords: B-splines, Cooling towers, Finite element, Genetic algorithm, Optimization

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Authors: Masoud Mahdavi

Abstract:

During an earthquake, the structure is subjected to seismic loads that cause tension in the members of the building. The use of energy dissipation elements in the structure reduces the percentage of seismic forces on the main members of the building (especially the columns). Steel plate shear wall, as one of the most widely used types of energy dissipation element, has evolved today, and regular drilling of its inner plate is one of the common cases. In the present study, using a finite element method, the shear wall of the steel plate is designed as a floor (with dimensions of 447 × 6/246 cm) with Abacus software and in three different modes on which a cyclic load has been applied. The steel shear wall has a horizontal element (beam) with a reduced beam section (RBS). The hole in the interior plate of the models is created in such a way that it has the process of increasing the area, which makes the effect of increasing the surface area of the hole on the seismic performance of the steel shear wall completely clear. In the end, it was found that with increasing the opening level in the steel shear wall (with reduced cross-section beam), total displacement and plastic strain indicators increased, structural capacity and total energy indicators decreased and the Mises Monson stress index did not change much.

Keywords: Steel plate shear wall with opening, cyclic loading, reduced cross-section beam, finite element method, Abaqus Software.

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Authors: Mohammad Talha, B. N. Singh

Abstract:

This paper deals with the thermo-mechanical deformation behavior of shear deformable functionally graded ceramicmetal (FGM) plates. Theoretical formulations are based on higher order shear deformation theory with a considerable amendment in the transverse displacement using finite element method (FEM). The mechanical properties of the plate are assumed to be temperaturedependent and graded in the thickness direction according to a powerlaw distribution in terms of the volume fractions of the constituents. The temperature field is supposed to be a uniform distribution over the plate surface (XY plane) and varied in the thickness direction only. The fundamental equations for the FGM plates are obtained using variational approach by considering traction free boundary conditions on the top and bottom faces of the plate. A C0 continuous isoparametric Lagrangian finite element with thirteen degrees of freedom per node have been employed to accomplish the results. Convergence and comparison studies have been performed to demonstrate the efficiency of the present model. The numerical results are obtained for different thickness ratios, aspect ratios, volume fraction index and temperature rise with different loading and boundary conditions. Numerical results for the FGM plates are provided in dimensionless tabular and graphical forms. The results proclaim that the temperature field and the gradient in the material properties have significant role on the thermo-mechanical deformation behavior of the FGM plates.

Keywords: Functionally graded material, higher order shear deformation theory, finite element method, independent field variables.

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Authors: Aimeng Wang, Dejun Ma, Hui Wang

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The paper presents a detailed calculation of characteristic of five different topology permanent magnet machines for high performance traction including hybrid -electric vehicles using finite element analysis (FEA) method. These machines include V-shape single layer interior PM, W-shape single-layer interior PM, Segment interior PM and surface PM on the rotor and with distributed winding on the stator. The performance characteristics which include the back-emf voltage and its harmonic, magnet mass, iron loss and ripple torque are compared and analyzed. One of a 7.5kW IPM prototype was tested and verified finite-element analysis results. The aim of the paper is given some guidance and reference for machine designer which are interested in IPM machine selection for high performance traction application.

Keywords: Interior permanent magnet machine, finite-element analysis (FEA), five topologies, electric vehicle.

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Authors: A. Armin, R. Fotouhi, W. Szyszkowski

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In this paper a 3-D finite element (FE) investigation of soil-blade interaction is described. The effects of blade’s shape and rake angle are examined both numerically and experimentally. The soil is considered as an elastic-plastic granular material with non-associated Drucker-Prager material model. Contact elements with different properties are used to mimic soil-blade sliding and soil-soil cutting phenomena. A separation criterion is presented and a procedure to evaluate the forces acting on the blade is given and discussed in detail. Experimental results were derived from tests using soil bin facility and instruments at the University of Saskatchewan. During motion of the blade, load cells collect data and send them to a computer. The measured forces using load cells had noisy signals which are needed to be filtered. The FE results are compared with experimental results for verification. This technique can be used in blade shape optimization and design of more complicated blade’s shape.

Keywords: Finite element analysis, soil-blade contact modeling, blade force, experimental results.

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Authors: Hamioud Saida, Khalfallah Salah

Abstract:

In this study, a spectral element method (SEM) is employed to predict the free vibration of a Euler-Bernoulli beam resting on a Winkler foundation with elastically restrained ends. The formulation of the dynamic stiffness matrix has been established by solving the differential equation of motion which was transformed to frequency domain. Non-dimensional natural frequencies and shape modes are obtained by solving the partial differential equations, numerically. Numerical comparisons and examples are performed to show the effectiveness of the SEM and to investigate the effects of various parameters, such as the springs at the boundaries and the elastic foundation parameter on the vibration frequencies. The obtained results demonstrate that the present method can also be applied to solve the more general problem of the dynamic analysis of structures with higher order precision.

Keywords: Elastically supported Euler-Bernoulli beam, free-vibration, spectral element method, Winkler foundation.

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Authors: S.S. Razavipour, M. Jahangiri, H. Sadeghipoor

Abstract:

In this paper, the computation of the electrical field distribution around AC high-voltage lines is demonstrated. The advantages and disadvantages of two different methods are described to evaluate the electrical field quantity. The first method is a seminumerical method using the laws of electrostatic techniques to simulate the two-dimensional electric field under the high-voltage overhead line. The second method which will be discussed is the finite element method (FEM) using specific boundary conditions to compute the two- dimensional electric field distributions in an efficient way.

Keywords: Electrical field, unloaded transmission lines, finite element method, electrostatic images technique.

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Authors: N. K. Sharma, J. Nayak, D. K. Sehgal, R. K. Pandey

Abstract:

Bone material is treated as heterogeneous and hierarchical in nature therefore appropriate size of bone specimen is required to analyze its tensile properties at a particular hierarchical level. Tensile properties of cortical bone are important to investigate the effect of drug treatment, disease and aging as well as for development of computational and analytical models. In the present study tensile properties of buffalo as well as goat femoral and tibiae cortical bone are analyzed using sub-size tensile specimens. Femoral cortical bone was found to be stronger in tension as compared to the tibiae cortical bone and the tensile properties obtained using sub-size specimens show close resemblance with the tensile properties of full-size cortical specimens. A two dimensional finite element (FE) modal was also applied to simulate the tensile behavior of sub-size specimens. Good agreement between experimental and FE model was obtained for sub-size tensile specimens of cortical bone.

Keywords: Cortical bone, sub-size specimen, full size specimen, finite element modeling.

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Authors: D. K. Lee, S. M. Shin, J. H. Lee

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Topology optimization technique utilizes constant element densities as design parameters. Finally, optimal distribution contours of the material densities between voids (0) and solids (1) in design domain represent the determination of topology. It means that regions with element density values become occupied by solids in design domain, while there are only void phases in regions where no density values exist. Therefore the void regions of topology optimization results provide design information to decide appropriate depositions of web-opening in structure. Contrary to the basic objective of the topology optimization technique which is to obtain optimal topology of structures, this present study proposes a new idea that topology optimization results can be also utilized for decision of proper web-opening’s position. Numerical examples of linear elastostatic structures demonstrate efficiency of methodological design processes using topology optimization in order to determinate the proper deposition of web-openings.

Keywords: Topology optimization, web-opening, structure, element density, material.

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Authors: Isa Ahmadi, Ramin Khamedi

Abstract:

In this paper, the elasto-plastic and cyclic torsion of a shaft is studied using a finite element method. The Prager kinematic hardening theory of plasticity with the Ramberg and Osgood stress-strain equation is used to evaluate the cyclic loading behavior of the shaft under the torsional loading. The material of shaft is assumed to follow the non-linear strain hardening property based on the Prager model. The finite element method with C¹ continuity is developed and used for solution of the governing equations of the problem. The successive substitution iterative method is used to calculate the distribution of stresses and plastic strains in the shaft due to cyclic loads. The shear stress, effective stress, residual stress and elastic and plastic shear strain distribution are presented in the numerical results.

Keywords: Cyclic Loading, Finite Element Analysis, Prager Kinematic Hardening Model, Torsion of shaft.

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Authors: Omer S. Mughieda

Abstract:

Two-dimensional finite element model was created in this work to investigate the stresses distribution within rock-like samples with offset open non-persistent joints under biaxial loading. The results of this study have explained the fracture mechanisms observed in tests on rock-like material with open non-persistent offset joints [1]. Finite element code SAP2000 was used to study the stresses distribution within the specimens. Four-nodded isoperimetric plain strain element with two degree of freedom per node, and the three-nodded constant strain triangular element with two degree of freedom per node were used in the present study.The results of the present study explained the formation of wing cracks at the tip of the joints for low confining stress as well as the formation of wing cracks at the middle of the joint for the higher confining stress. High shear stresses found in the numerical study at the tip of the joints explained the formation of secondary cracks at the tip of the joints in the experimental study. The study results coincide with the experimental observations which showed that for bridge inclination of 0o, the coalescence occurred due to shear failure and for bridge inclination of 90o the coalescence occurred due to tensile failure while for the other bridge inclinations coalescence occurred due to mixed tensile and shear failure.

Keywords: Finite element, open offset rock joint, SAP2000, biaxial loading.

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Authors: Eldin Wee Chuan Lim

Abstract:

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

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

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Authors: Basmah H. Shafee

Abstract:

In this paper, we will generate the wreath product 11 12 M wrM using only two permutations. Also, we will show the structure of some groups containing the wreath product 11 12 M wrM . The structure of the groups founded is determined in terms of wreath product k (M wrM ) wrC 11 12 . Some related cases are also included. Also, we will show that 132K+1 S and 132K+1 A can be generated using the wreath product k (M wrM ) wrC 11 12 and a transposition in 132K+1 S and an element of order 3 in 132K+1 A . We will also show that 132K+1 S and 132K+1 A can be generated using the wreath product 11 12 M wrM and an element of order k +1.

Keywords: Group presentation, group generated by n-cycle, Wreath product, Mathieu group.

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Authors: Costa, E.S., Borges, E.N.M., Afonso, M.M.

Abstract:

The modeling of sound radiation is of fundamental importance for understanding the propagation of acoustic waves and, consequently, develop mechanisms for reducing acoustic noise. The propagation of acoustic waves, are involved in various phenomena such as radiation, absorption, transmission and reflection. The radiation is studied through the linear equation of the acoustic wave that is obtained through the equation for the Conservation of Momentum, equation of State and Continuity. From these equations, is the Helmholtz differential equation that describes the problem of acoustic radiation. In this paper we obtained the solution of the Helmholtz differential equation for an infinite cylinder in a pulsating through free and homogeneous. The analytical solution is implemented and the results are compared with the literature. A numerical formulation for this problem is obtained using the Boundary Element Method (BEM). This method has great power for solving certain acoustical problems in open field, compared to differential methods. BEM reduces the size of the problem, thereby simplifying the input data to be worked and reducing the computational time used.

Keywords: Acoustic radiation, boundary element

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Authors: Muniyasamy Kalanchiam, Baskar Mannai

Abstract:

Topology Optimization is a defined as the method of determining optimal distribution of material for the assumed design space with functionality, loads and boundary conditions [1]. Topology optimization can be used to optimize shape for the purposes of weight reduction, minimizing material requirements or selecting cost effective materials [2]. Topology optimization has been implemented through the use of finite element methods for the analysis, and optimization techniques based on the method of moving asymptotes, genetic algorithms, optimality criteria method, level sets and topological derivatives. Case study of Typical “Fuselage design" is considered for this paper to explain the benefits of Topology Optimization in the design cycle. A cylindrical shell is assumed as the design space and aerospace standard pay loads were applied on the fuselage with wing attachments as constraints. Then topological optimization is done using Finite Element (FE) based software. This optimization results in the structural concept design which satisfies all the design constraints using minimum material.

Keywords: Fuselage, Topology optimization, payloads, designoptimization, Finite Element Analysis.

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Authors: Tsung-Chia Chen

Abstract:

The orthogonal processes to shape the triangle steel plate into a equilateral vertical steel are examined by an incremental elasto-plastic finite-element method based on an updated Lagrangian formulation. The highly non-linear problems due to the geometric changes, the inelastic constitutive behavior and the boundary conditions varied with deformation are taken into account in an incremental manner. On the contact boundary, a modified Coulomb friction mode is specially considered. A weighting factor r-minimum is employed to limit the step size of loading increment to linear relation. In particular, selective reduced integration was adopted to formulate the stiffness matrix. The simulated geometries of verticality could clearly demonstrate the vertical processes until unloading. A series of experiments and simulations were performed to validate the formulation in the theory, leading to the development of the computer codes. The whole deformation history and the distribution of stress, strain and thickness during the forming process were obtained by carefully considering the moving boundary condition in the finite-element method. Therefore, this modeling can be used for judging whether a equilateral vertical steel can be shaped successfully. The present work may be expected to improve the understanding of the formation of the equilateral vertical steel.

Keywords: Elasto-plastic, finite element, orthogonal pressing process, vertical steel.

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Authors: Vasudha Hegde, Narendra Chaulagain, H. M. Ravikumar, Sonu Mishra, Siva Yellampalli

Abstract:

Acoustic sensors are extensively used in recent days not only for sensing and condition monitoring applications but also for small scale energy harvesting applications to power wireless sensor networks (WSN) due to their inherent advantages. The natural frequency of the structure plays a major role in energy harvesting applications since the sensor key element has to operate at resonant frequency. In this paper, circular diaphragm based MEMS acoustic sensor is modelled by Lumped Element Model (LEM) and the natural frequency is compared with the simulated model using Finite Element Method (FEM) tool COMSOL Multiphysics. The sensor has the circular diaphragm of 3000 µm radius and thickness of 30 µm to withstand the high SPL (Sound Pressure Level) and also to withstand the various fabrication steps. A Piezoelectric ZnO layer of thickness of 1 µm sandwiched between two aluminium electrodes of thickness 0.5 µm and is coated on the diaphragm. Further, a channel with radius 3000 µm radius and length 270 µm is connected at the bottom of the diaphragm. The natural frequency of the structure by LEM method is approximately 16.6 kHz which is closely matching with that of simulated structure with suitable approximations.

Keywords: Acoustic sensor, diaphragm based, lumped element modeling, natural frequency, piezoelectric.

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Authors: Sachin Man Bajimaya, SangChul Park, Gi-Nam Wang

Abstract:

The objective of this paper is to estimate realistic principal extrusion process parameters by means of artificial neural network. Conventionally, finite element analysis is used to derive process parameters. However, the finite element analysis of the extrusion model does not consider the manufacturing process constraints in its modeling. Therefore, the process parameters obtained through such an analysis remains highly theoretical. Alternatively, process development in industrial extrusion is to a great extent based on trial and error and often involves full-size experiments, which are both expensive and time-consuming. The artificial neural network-based estimation of the extrusion process parameters prior to plant execution helps to make the actual extrusion operation more efficient because more realistic parameters may be obtained. And so, it bridges the gap between simulation and real manufacturing execution system. In this work, a suitable neural network is designed which is trained using an appropriate learning algorithm. The network so trained is used to predict the manufacturing process parameters.

Keywords: Artificial Neural Network (ANN), Indirect Extrusion, Finite Element Analysis, MES.

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Authors: Mohd Nuri Al-Amin Endut, Wan Suhaimi Wan Abdullah, Zulqarnain Abu Bakar

Abstract:

The element of justice or al-‘adl in the context of Islamic critical thinking deals with the notion of justice in a thinking process which critically rationalizes the truth in a fair and objective manner with no irrelevant interference that can jeopardize a sound judgment. This Islamic axiological element is vital in technological decision making as it addresses the issues of religious values and ethics that are primarily set to fulfill the purpose of human life on earth. The main objective of this study was to examine and analyze the perception of Muslim engineering students in Malaysian higher education institutions towards the concept of al-‘adl as an essential element of Islamic critical thinking. The study employed mixed methods approach that comprises data collection from the questionnaire survey and the interview responses. A total of 557 Muslim engineering undergraduates from six Malaysian universities participated in the study. The study generally indicated that Muslim engineering undergraduates in the higher institutions have rather good comprehension and consciousness for al-‘adl with a slight awareness on the importance of objective thinking. Nonetheless there were a few items on the concept that have implied a comparatively low perception on the rational justice in Islam as the means to grasp the ultimate truth.

Keywords: Engineering education, Islamic critical thinking, rational justice, perception, tertiary education.

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Authors: G. Bedon, M. Raciti Castelli, E. Benini

Abstract:

The present study aims to evaluating the effect of rotor solidity - in terms of chord length for a given rotor diameter - on the performances of a small vertical axis Darrieus wind turbine. The proposed work focuses on both power production and rotor power coefficient, considering also the structural constraints deriving from the centrifugal forces due to rotor angular velocity. Also the smoothness of the resulting power curves have been investigated, in order to evaluate the controllability of the corresponding rotor architectures.

Keywords: Vertical axis wind turbine, Darrieus, solidity, Blade Element-Momentum

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Authors: H. Kheirollahi, Y. Luo

Abstract:

Studying stress and strain trends in the femur and recognizing femur failure mechanism is very important for preventing hip fracture in the elderly. The aim of this study was to identify high stress and strain regions in the femur during normal walking and falling to find the mechanical behavior and failure mechanism of the femur. We developed a finite element model of the femur from the subject’s quantitative computed tomography (QCT) image and used it to identify potentially high stress and strain regions during the single-leg stance and the sideways fall. It was found that fracture may initiate from the superior region of femoral neck and propagate to the inferior region during a high impact force such as sideways fall. The results of this study showed that the femur bone is more sensitive to strain than stress which indicates the effect of strain, in addition to effect of stress, should be considered for failure analysis.

Keywords: Finite element analysis, hip fracture, strain, stress.

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Authors: Panam. Zarfam, Mohsen. Javan Pour

Abstract:

Recently, analysis and designing of the structures based on the Reliability theory have been the center of attention. Reason of this attention is the existence of the natural and random structural parameters such as the material specification, external loads, geometric dimensions etc. By means of the Reliability theory, uncertainties resulted from the statistical nature of the structural parameters can be changed into the mathematical equations and the safety and operational considerations can be considered in the designing process. According to this theory, it is possible to study the destruction probability of not only a specific element but also the entire system. Therefore, after being assured of safety of every element, their reciprocal effects on the safety of the entire system can be investigated.

Keywords: Probability, Reliability, Statistics, Uncertainty

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Authors: Minky Son, Chanin Park, Ayoung Baek, Shalini John, Keun Woo Lee

Abstract:

3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

Keywords: Anti-hypercholesterolemia drug, HMGR inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling.

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Authors: Richard Ji

Abstract:

Nondestructive deflection testing has been accepted widely as a cost-effective tool for evaluating the structural condition of airfield pavements. Backcalculation of pavement layer moduli can be used to characterize the pavement existing condition in order to compute the load bearing capacity of pavement. This paper presents an improved best-fit backcalculation methodology based on deflection predictions obtained using finite element method (FEM). The best-fit approach is based on minimizing the squared error between falling weight deflectometer (FWD) measured deflections and FEM predicted deflections. Then, concrete elastic modulus and modulus of subgrade reaction were back-calculated using Heavy Weight Deflectometer (HWD) deflections collected at the National Airport Pavement Testing Facility (NAPTF) test site. It is an alternative and more versatile method in considering concrete slab geometry and HWD testing locations compared to methods currently available.

Keywords: Nondestructive testing, Pavement moduli backcalculation, Finite Element Method, FEM, concrete pavements.

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