Search results for: thermo-neutronics parameters.

Authors: K. Al Ammari, B. G. Clarke

Abstract:

Soil improvement using vibro stone column techniques consists of two main parts: (1) the installed load bearing columns of well-compacted, coarse-grained material and (2) the improvements to the surrounding soil due to vibro compaction. Extensive research work has been carried out over the last 20 years to understand the improvement in the composite foundation performance due to the second part mentioned above. Nevertheless, few of these studies have tried to quantify some of the key design parameters, namely the changes in the stiffness and stress state of the treated soil, or have consider these parameters in the design and calculation process. Consequently, empirical and conservative design methods are still being used by ground improvement companies with a significant variety of results in engineering practice. Two-dimensional finite element study to develop an axisymmetric model of a single stone column reinforced foundation was performed using PLAXIS 2D AE to quantify the effect of the vibro installation of this column in soft saturated clay. Settlement and bearing performance were studied as an essential part of the design and calculation of the stone column foundation. Particular attention was paid to the large deformation in the soft clay around the installed column caused by the lateral expansion. So updated mesh advanced option was taken in the analysis. In this analysis, different degrees of stone column lateral expansions were simulated and numerically analyzed, and then the changes in the stress state, stiffness, settlement performance and bearing capacity were quantified. It was found that application of radial expansion will produce a horizontal stress in the soft clay mass that gradually decrease as the distance from the stone column axis increases. The excess pore pressure due to the undrained conditions starts to dissipate immediately after finishing the column installation, allowing the horizontal stress to relax. Changes in the coefficient of the lateral earth pressure K ٭, which is very important in representing the stress state, and the new stiffness distribution in the reinforced clay mass, were estimated. More encouraging results showed that increasing the expansion during column installation has a noticeable effect on improving the bearing capacity and reducing the settlement of reinforced ground, So, a design method should include this significant effect of the applied lateral displacement during the stone column instillation in simulation and numerical analysis design.

Keywords: Bearing capacity, design, Installation, numerical analysis, settlement, stone column.

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Authors: S. Ritddech, P. Aroonjarattham, K. Aroonjarattham

Abstract:

The pullout strength had an effect on the stability of plate screw fixation when inserted in the cervical spine. Nine different titanium alloy bone screws were used to test the pullout strength through finite element analysis. The result showed that the Moss Miami I can bear the highest pullout force at 1,075 N, which causes the maximum von Mises stress at 858.87 MPa, a value over the yield strength of titanium. The bone screw should have large outer diameter, core diameter and proximal root radius to increase the pullout strength.

Keywords: Pullout strength, Screw parameter, Cervical spine, Finite element analysis.

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Authors: Orkide Donma, Mustafa M. Donma

Abstract:

Obesity may lead to growing serious health problems throughout the world. Vitamin D appears to play a role in cardiovascular and metabolic health. Vitamin D deficiency may add to derangements in human metabolic systems, particularly those of children. Childhood obesity is associated with an increased risk of chronic and sophisticated diseases. The aim of this study is to investigate associations as well as possible differences related to parameters affected by obesity and their relations with vitamin D status in obese (OB) and morbid obese (MO) children. This study included a total of 78 children. Of them, 41 and 37 were OB and MO, respectively. WHO BMI-for age percentiles were used for the classification of obesity. The values above 99 percentile were defined as MO. Those between 95 and 99 percentiles were included into OB group. Anthropometric measurements were recorded. Basal metabolic rates (BMRs) were measured. Vitamin D status is determined by the measurement of 25-hydroxy cholecalciferol [25- hydroxyvitamin D3, 25(OH)D] using high-performance liquid chromatography. Vitamin D status was evaluated as deficient, insufficient and sufficient. Values < 20.0 ng/ml, values between 20-30 ng/ml and values > 30.0 ng/ml were defined as vitamin D deficient, insufficient and sufficient, respectively. Optimal 25(OH)D level was defined as ≥ 30 ng/ml. SPSSx statistical package program was used for the evaluation of the data. The statistical significance degree was accepted as p < 0.05. Mean ages did not differ between the groups. Significantly increased body mass index (BMI), waist circumference (C) and neck C as well as significantly decreased fasting blood glucose (FBG) and vitamin D values were observed in MO group (p < 0.05). In OB group, 37.5% of the children were vitamin D deficient, and in MO group the corresponding value was 53.6%. No difference between the groups in terms of lipid profile, systolic blood pressure (SBP), diastolic blood pressure (DBP) and insulin values was noted. There was a severe statistical significance between FBG values of the groups (p < 0.001). Important correlations between BMI, waist C, hip C, neck C and both SBP as well as DBP were found in OB group. In MO group, correlations only with SBP were obtained. In a similar manner, in OB group, correlations were detected between SBP-BMR and DBP-BMR. However, in MO children, BMR correlated only with SBP. The associations of vitamin D with anthropometric indices as well as some lipid parameters were defined. In OB group BMI, waist C, hip C and triglycerides (TRG) were negatively correlated with vitamin D concentrations whereas none of them were detected in MO group. Vitamin D deficiency may contribute to the complications associated with childhood obesity. Loss of correlations between obesity indices-DBP, vitamin D-TRG, as well as relatively lower FBG values, observed in MO group point out that the emergence of MetS components starts during obesity state just before the transition to morbid obesity. Aside from its deficiency state, associations of vitamin D with anthropometric measurements, blood pressures and TRG should also be evaluated before the development of morbid obesity.

Keywords: Children, morbid obesity, obesity, vitamin D.

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Authors: Jalal Karam, Raed Saad

Abstract:

This paper studies the effect of different compression constraints and schemes presented in a new and flexible paradigm to achieve high compression ratios and acceptable signal to noise ratios of Arabic speech signals. Compression parameters are computed for variable frame sizes of a level 5 to 7 Discrete Wavelet Transform (DWT) representation of the signals for different analyzing mother wavelet functions. Results are obtained and compared for Global threshold and level dependent threshold techniques. The results obtained also include comparisons with Signal to Noise Ratios, Peak Signal to Noise Ratios and Normalized Root Mean Square Error.

Keywords: Speech Compression, Wavelets.

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Authors: F.H.Wee, F. Malek

Abstract:

This paper presents the utilizing of ferroelectric material on antenna application. There are two different ferroelectric had been used on the proposed antennas which include of Barium Strontium Titanate (BST) and Bismuth Titanate (BiT), suitable for Access Points operating in the WLAN IEEE 802.11 b/g and WiMAX IEEE 802.16 within the range of 2.3 GHz to 2.5 GHz application. BST, which had been tested to own a dielectric constant of εr = 15 while BiT has a dielectric constant that higher than BST which is εr = 21 and both materials are in rectangular shaped. The influence of various parameters on antenna characteristics were investigated extensively using commercial electromagnetic simulations software by Communication Simulation Technology (CST). From theoretical analysis and simulation results, it was demonstrated that ferroelectric material used have not only improved the directive emission but also enhanced the radiation efficiency.

Keywords: Ferroelectric material, WLAN, WiMAX, dielectric constant

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Authors: T. Manzur, S. Iffat, M. A. Noor

Abstract:

In this paper, relationship between different properties of IC concrete and water cement ratio, obtained from a comprehensive experiment conducted on IC using local materials (Burnt clay chips- BC) is presented. In addition, saturated SAP was used as an IC material in some cases. Relationships have been developed through regression analysis. The focus of this analysis is on developing relationship between a dependent variable and an independent variable. Different percent replacements of BC and water cement ratios were used. Compressive strength, modulus of elasticity, water permeability and chloride permeability were tested and variations of these parameters were analyzed with respect to water cement ratio.

Keywords: Compressive strength, concrete, curing, lightweight, aggregate, superabsorbent polymer, internal curing.

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Authors: A. M. Alaskari, S. E. Oraby

Abstract:

The quality of a machined surface is becoming more and more important to justify the increasing demands of sophisticated component performance, longevity, and reliability. Usually, any machining operation leaves its own characteristic evidence on the machined surface in the form of finely spaced micro irregularities (surface roughness) left by the associated indeterministic characteristics of the different elements of the system: tool-machineworkpart- cutting parameters. However, one of the most influential sources in machining affecting surface roughness is the instantaneous state of tool edge. The main objective of the current work is to relate the in-process immeasurable cutting edge deformation and surface roughness to a more reliable easy-to-measure force signals using a robust non-linear time-dependent modeling regression techniques. Time-dependent modeling is beneficial when modern machining systems, such as adaptive control techniques are considered, where the state of the machined surface and the health of the cutting edge are monitored, assessed and controlled online using realtime information provided by the variability encountered in the measured force signals. Correlation between wear propagation and roughness variation is developed throughout the different edge lifetimes. The surface roughness is further evaluated in the light of the variation in both the static and the dynamic force signals. Consistent correlation is found between surface roughness variation and tool wear progress within its initial and constant regions. At the first few seconds of cutting, expected and well known trend of the effect of the cutting parameters is observed. Surface roughness is positively influenced by the level of the feed rate and negatively by the cutting speed. As cutting continues, roughness is affected, to different extents, by the rather localized wear modes either on the tool nose or on its flank areas. Moreover, it seems that roughness varies as wear attitude transfers from one mode to another and, in general, it is shown that it is improved as wear increases but with possible corresponding workpart dimensional inaccuracy. The dynamic force signals are found reasonably sensitive to simulate either the progressive or the random modes of tool edge deformation. While the frictional force components, feeding and radial, are found informative regarding progressive wear modes, the vertical (power) components is found more representative carrier to system instability resulting from the edge-s random deformation.

Keywords: Dynamic force signals, surface roughness (finish), tool wear and deformation, tool wear modes (nose, flank)

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Authors: Zdravka Aljinović, Snježana Pivac, Boško Šego

Abstract:

According to the interaction of inflation and unemployment, expectation of the rate of inflation in Croatia is estimated. The interaction between inflation and unemployment is shown by model based on three first-order differential i.e. difference equations: Phillips relation, adaptive expectations equation and monetary-policy equation. The resulting equation is second order differential i.e. difference equation which describes the time path of inflation. The data of the rate of inflation and the rate of unemployment are used for parameters estimation. On the basis of the estimated time paths, the stability and convergence analysis is done for the rate of inflation.

Keywords: Differencing, inflation, time path, unemployment.

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Authors: J. S. Bhullar, Manish Gupta

Abstract:

Classical Bose-Chaudhuri-Hocquenghem (BCH) codes C that contain their dual codes can be used to construct quantum stabilizer codes this chapter studies the properties of such codes. It had been shown that a BCH code of length n which contains its dual code satisfies the bound on weight of any non-zero codeword in C and converse is also true. One impressive difficulty in quantum communication and computation is to protect informationcarrying quantum states against undesired interactions with the environment. To address this difficulty, many good quantum errorcorrecting codes have been derived as binary stabilizer codes. We were able to shed more light on the structure of dual containing BCH codes. These results make it possible to determine the parameters of quantum BCH codes in terms of weight of non-zero dual codeword.

Keywords: Quantum Codes, BCH Codes, Dual BCH Codes, Designed Distance.

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Authors: S. N. Vijayan, S. Sendhil Kumar

Abstract:

Recent years have an upward trend in the research of renewable energy sector, due to the low availability of resources and huge consumption of conventional energies. Considerable renewable energy can be achieved from the available solar power with the utilization of collecting systems. Parabolic trough concentrating collector systems are mostly used to utilize maximum availability of solar power. This paper reviews the contributing factors for the overall performance of parabolic trough collectors. Its performance depends on the operating parameters such as the type of receiver and the collector material, medium of heat transfer, type of application and various climatic conditions.

Keywords: Solar radiation, parabolic trough collector, thermal analysis, efficiency.

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Authors: Farhat Hajer, Khir Tahar, Ammar Ben Brahim

Abstract:

This work presents a study on the influence of the main operating variables on the gas turbine cycle. A numerical simulation of a gas turbine cycle is performed for a real net power of 100 MW. A calculation code is developed using EES software. The operating variables are taken in conformity with the local environmental conditions adopted by the Tunisian Society of Electricity and Gas. Results show that the increase of ambient temperature leads to an increase of Tpz and NO_x emissions rate and a decrease of cycle efficiency and UHC emissions. The CO emissions decrease with the raise of residence time, while NO_x emissions rate increases and UHC emissions rate decreases. Furthermore, both of cycle efficiency and NOx emissions increase with the increase of the pressure ratio.

Keywords: CO, efficiency, gas turbine, NOx, UHC.

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Authors: Tian Hai, Yang Shengsheng, Jr., Wang Yi

Abstract:

Based on an analysis of the mechanism of degradation of optical characteristics of the ZnO-pigmented white paint by electron irradiation, a model of single molecular color centers is built. An equation that explains the relationship between the changes of variation of the ZnO-pigmented white paint-s spectrum absorptance and electron fluence is derived. The uncertain parameters in the equation can be calculated using the curve fitting by experimental data. The result indicates that the model can be applied to predict the degradation of optical characteristics of ZnO-pigmented white paint by electron radiation.

Keywords: ZnO-pigmented white pain, effects of electron radiation, optical characteristics degradation, prediction model.

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Authors: Zixin Liu, Jianjun Jiao Wanping Bai

Abstract:

In this paper, the issue of pth moment exponential stability of stochastic recurrent neural network with distributed time delays is investigated. By using the method of variation parameters, inequality techniques, and stochastic analysis, some sufficient conditions ensuring pth moment exponential stability are obtained. The method used in this paper does not resort to any Lyapunov function, and the results derived in this paper generalize some earlier criteria reported in the literature. One numerical example is given to illustrate the main results.

Keywords: Stochastic recurrent neural networks, pth moment exponential stability, distributed time delays.

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Authors: Htet Htike Htwe, Kay Thi Lwin

Abstract:

The principal objective of this study is to be able to extract niobium oxide from columbite-tantalite concentrate of Thayet Kon Area in Nay Phi Taw. It is recovered from columbite-tantalite concentrate which contains 19.29 % Nb2O5.The recovery of niobium oxide from columbite-tantalite concentrate can be divided into three main sections, namely, digestion of the concentrate, recovery from the leached solution and precipitation and calcinations. The concentrate was digested with hydrofluoric acid and sulfuric acid. Of the various parameters that effect acidity and time were studied. In the recovery section solvent extraction process using methyl isobutyl ketone was investigated. Ammonium hydroxide was used as a precipitating agent and the precipitate was later calcined. The percentage of niobium oxide is 74%.

Keywords: Calcination, Digestion, Precipitation, SolventExtraction.

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Authors: Jian Wang, Lu Yang, Jiong Peng

Abstract:

Internal circulation two-platen clamping system for injection molding machine (IMM) has many potential advantages on energy-saving. In order to estimate its properties, experiments were carried out in this paper. Displacement and pressure of the components were measured. In comparison, the model of hydraulic clamping system was established by using AMESim. The related parameters as well as the energy consumption could be calculated. According to the analysis, the hydraulic system was optimized in order to reduce the energy consumption.

Keywords: AMESim, energy-saving, injection molding machine, internal circulation.

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Authors: J. Fernandez de Canete, S. Fernandez-Calvo, I. García-Moral

Abstract:

This paper presents and discusses the application of the object-oriented modelling software SIMSCAPE to hydraulic systems, with particular reference to multivariable proportional-integral-derivative (PID) control. As a result, a particular modelling approach of a double cylinder-piston coupled system is proposed and motivated, and the SIMULINK based PID tuning tool has also been used to select the proper controller parameters. The paper demonstrates the usefulness of the object-oriented approach when both physical modelling and control are tackled.

Keywords: Object-oriented modeling, multivariable hydraulic system, multivariable PID control, computer simulation.

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Authors: Santosh Kr. Choudhary

Abstract:

In this article, LQR based PID controller design for 3DOF helicopter system is investigated. The 3-DOF helicopter system is a benchmark laboratory model having strongly nonlinear characteristics and unstable dynamics which make the control of such system a challenging task. This article first presents the mathematical model of the 3DOF helicopter system and then illustrates the basic idea and technical formulation for controller design. The paper explains the simple approach for the approximation of PID design parameters from the LQR controller gain matrix. The simulation results show that the investigated controller has both static and dynamic performance, therefore the stability and the quick control effect can be obtained simultaneously for the 3DOF helicopter system.

Keywords: 3DOF helicopter system, PID controller, LQR controller, modeling, simulation.

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Authors: Won Mok. Choi, Tae Su. Kwon, Hyun Sung. Jung, Jin Sung. Kim

Abstract:

The aim of this paper is to confirm the effect of key design parameters, the punch radius and punch angle, on rupture of the expansion tube using a finite element analysis with a ductile damage model. The results of the finite element analysis indicated that the expansion ratio of the tube was mainly affected by the radius of the punch. However, the rupture was more affected by the punch angle than the radius of the punch. The existence of a specific punch angle, at which rupture did not occur, even if the radius of the punch was increased, was found.

Keywords: Expansion tube, Ductile damage, Shear failure, Stress triaxiality.

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Authors: B. Bakır, İ. Batmaz, F. A. Güntürkün, İ. A. İpekçi, G. Köksal, N. E. Özdemirel

Abstract:

The main aim of this study is to identify the most influential variables that cause defects on the items produced by a casting company located in Turkey. To this end, one of the items produced by the company with high defective percentage rates is selected. Two approaches-the regression analysis and decision treesare used to model the relationship between process parameters and defect types. Although logistic regression models failed, decision tree model gives meaningful results. Based on these results, it can be claimed that the decision tree approach is a promising technique for determining the most important process variables.

Keywords: Casting industry, decision tree algorithm C5.0, logistic regression, quality improvement.

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Authors: Sung-Hae Jun, Kyung-Whan Oh

Abstract:

Statistical learning theory was developed by Vapnik. It is a learning theory based on Vapnik-Chervonenkis dimension. It also has been used in learning models as good analytical tools. In general, a learning theory has had several problems. Some of them are local optima and over-fitting problems. As well, statistical learning theory has same problems because the kernel type, kernel parameters, and regularization constant C are determined subjectively by the art of researchers. So, we propose an evolutionary statistical learning theory to settle the problems of original statistical learning theory. Combining evolutionary computing into statistical learning theory, our theory is constructed. We verify improved performances of an evolutionary statistical learning theory using data sets from KDD cup.

Keywords: Evolutionary computing, Local optima, Over-fitting, Statistical learning theory

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Authors: Nahla Barakat, Joachim Diederich

Abstract:

Support vector machines (SVMs) have shown superior performance compared to other machine learning techniques, especially in classification problems. Yet one limitation of SVMs is the lack of an explanation capability which is crucial in some applications, e.g. in the medical and security domains. In this paper, a novel approach for eclectic rule-extraction from support vector machines is presented. This approach utilizes the knowledge acquired by the SVM and represented in its support vectors as well as the parameters associated with them. The approach includes three stages; training, propositional rule-extraction and rule quality evaluation. Results from four different experiments have demonstrated the value of the approach for extracting comprehensible rules of high accuracy and fidelity.

Keywords: Data mining, hybrid rule-extraction algorithms, medical diagnosis, SVMs

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Authors: S. Rathnakumar, R. Y. Sheeja, T. Murugesan

Abstract:

The experiments were performed in a batch set up under different concentrations of Cu (II) (0.2 g.l-1 to 0.9 g.l-1), pH (4- 6), temperatures (20oC – 40oC) with varying teak leaves powder (as biosorbent) dosage of 0.3 g.l-1 to 0.5 g.l-1. The kinetics of interactions were tested with pseudo first order Lagergran equation and the value for k1 was found to be 6.909 x 10-3 min-1. The biosorption data gave a good fit with Langmuir and Fruendlich isotherms and the Langmuir monolayer capacity (qm) was found to be 166.78 mg. g-1. Similarly the Freundlich adsorption capacity (Kf) was estimated as 2.49 l g-1. The mean values of the thermodynamic parameters ΔH, ΔS, and ΔG were -62.42 KJ. mol-1, -0.219 KJ.mol-1 K-1 and -1.747 KJ.mol-1 at 293 K from a solution containing 0.4 g l-1 of Cu(II) showing the biosorption to be thermodynamically favourable. These results show good potentiality of using teak leaves as a biosorbent for the removal of Cu(II) from aqueous solutions.

Keywords: Teak leaves, Cu(II) removal, biosorption, Lagergran, Langmuir, Fruendlich isotherm.

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Authors: A. S. Mousa, F. Shoman

Abstract:

We present a discrete game theoretical model with homogeneous individuals who make simultaneous decisions. In this model the strategy space of all individuals is a discrete and dichotomous set which consists of two strategies. We fully characterize the coherent, split and mixed strategies that form Nash equilibria and we determine the corresponding Nash domains for all individuals. We find all strategic thresholds in which individuals can change their mind if small perturbations in the parameters of the model occurs.

Keywords: Coherent strategy, split strategy, pure strategy, mixed strategy, Nash Equilibrium, game theory.

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Authors: M. Khaouani, A. Guen-Bouazza, B. Bouazza, Z. Kourdi

Abstract:

The integrity and issues related to electrostatic performance associated with scaling Si MOSFET bulk sub 10nm channel length promotes research in new device architectures such as SOI, double gate and GAA MOSFET. In this paper, we present some novel characteristic of horizontal rectangular gate\gate all around MOSFETs with dual metal of gate we obtained using SILVACO TCAD tools. We will also exhibit some simulation results we obtained relating to the influence of some parameters variation on our structure, that having a direct impact on their threshold voltage and drain current. In addition, our TFET showed reasonable I_ON/I_OFF ratio of (10⁴) and low drain induced barrier lowering (DIBL) of 39 mV/V.

Keywords: GAA, SILVACO, QUANTUM, MOSFETs.

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Authors: Pu Duan, Shi Cui, Choong Wah Chan

Abstract:

Finding suitable non-supersingular elliptic curves for pairing-based cryptosystems becomes an important issue for the modern public-key cryptography after the proposition of id-based encryption scheme and short signature scheme. In previous work different algorithms have been proposed for finding such elliptic curves when embedding degree k ∈ {3, 4, 6} and cofactor h ∈ {1, 2, 3, 4, 5}. In this paper a new method is presented to find more non-supersingular elliptic curves for pairing-based cryptosystems with general embedding degree k and large values of cofactor h. In addition, some effective parameters of these non-supersingular elliptic curves are provided in this paper.

Keywords: Family of group order, kth root of unity, non-supersingular elliptic curves polynomial field.

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Authors: Ken-Lin Chang, Jun-Hong Lin, Shui-Tein Chen

Abstract:

In this study, we used a two-stage process and potassium hydroxide (KOH) to transform waste biomass (rice straw) into activated carbon and then evaluated the adsorption capacity of the waste for removing carbofuran from an aqueous solution. Activated carbon was fast and effective for the removal of carbofuran because of its high surface area. The native and carbofuran-loaded adsorbents were characterized by elemental analysis. Different adsorption parameters, such as the initial carbofuran concentration, contact time, temperature and pH for carbofuran adsorption, were studied using a batch system. This study demonstrates that rice straw can be very effective in the adsorption of carbofuran from bodies of water.

Keywords: Rice straw, Carbofuran, Activated carbon

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Authors: J. Cecrdle, J. Malecek

Abstract:

This paper deals with the conceptual design of the new aeroelastic demonstrator for the whirl flutter simulation. The paper gives a theoretical background of the whirl flutter phenomenon and describes the events of the whirl flutter occurrence in the aerospace practice. The second part is focused on the experimental research of the whirl flutter on aeroelastic similar models. Finally the concept of the new aeroelastic demonstrator is described. The demonstrator represents the wing and engine of the twin turboprop commuter aircraft including a driven propeller. It allows the changes of the main structural parameters influencing the whirl flutter stability characteristics. It is intended for the experimental investigation of the whirl flutter in the wind tunnel. The results will be utilized for validation of analytical methods and software tools.

Keywords: aeroelasticity, flutter, whirl flutter, W-WING demonstrator

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Authors: S. B. V. S. P. Sastry, V. V. S. Kesava Rao

Abstract:

In this paper, x-ray impact of Taguchi method and design of experiment philosophy to project relationship between various factors leading to output yield strength of rebar is studied. In bar mill of an integrated steel plant, there are two production lines called as line 1 and line 2. The metallic properties e.g. yield strength of finished product of the same material is varying for a particular grade material when rolled simultaneously in both the lines. A study has been carried out to set the process parameters at optimal level for obtaining equal value of yield strength simultaneously for both lines.

Keywords: Bar mill, design of experiment, Taguchi, yield strength.

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Authors: M.Devakar, T.K.V.Iyengar

Abstract:

In this paper, we investigate the generalized Stokes’ problems for an incompressible couple stress fluid. Analytical solution of the governing equations is obtained in Laplace transform domain for each problem. A standard numerical inversion technique is used to invert the Laplace transform of the velocity in each case. The effect of various material parameters on velocity is discussed and the results are presented through graphs. It is observed that, the results are in tune with the observation of V.K.Stokes in connection with the variation of velocity in the flow between two parallel plates when the top one is moving with constant velocity and the bottom one is at rest.

Keywords: Couple stress fluid, Generalized Stokes’ problems, Laplace transform, Numerical inversion

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Authors: S. Heydarian

Abstract:

Proton transfer and hydrogen bonding are two aspects of the chemistry of hydrogen that respectively govern the behaviour and structure of many molecules, both simple and complex. All the theoretical enol and keto conformations of 1,3-diphenyl-1,3- propandion known as dibenzoylmethane (DBM), have been investigated by means of atoms in molecules (AIM) theory. It was found that the most stable conformers are those stabilized by hydrogen bridges.The aim of the present paper is a thorough conformational analysis of DBM (with special attention on chelated cis-enol conformers) in order to obtain detailed information on the geometrical parameters, relative stabilities and rotational motion of the phenyl groups. It is also important to estimate the barrier height for ptoton transfer and hydrogen bond strength, which are the main factors governing conformational stability.

Keywords: Acetylacetone, Atoms in molecules, Dibenzoylmethane, Intramolecular hydrogen bond, Resonanceconjugation

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