Search results for: label free

Authors: Jessie Yiying Quah, Vivian Netto, Jack Sheng Kee, Eric Mouchel La Fosse, Mi Kyoung Park

Abstract:

We present a dextran modified silicon microring resonator sensor for high density antibody immobilization. An array of sensors consisting of three sensor rings and a reference ring was fabricated and its surface sensitivity and the limit of detection were obtained using polyelectrolyte multilayers. The mass sensitivity and the limit of detection of the fabricated sensor ring are 0.35 nm/ng mm-2 and 42.8 pg/mm2 in air, respectively. Dextran modified sensor surface was successfully prepared by covalent grafting of oxidized dextran on 3-aminopropyltriethoxysilane (APTES) modified silicon sensor surface. The antibody immobilization on hydrogel dextran matrix improves 40% compared to traditional antibody immobilization method via APTES and glutaraldehyde linkage.

Keywords: Antibody immobilization, Dextran, Immunosensor, Label-free detection, Silicon micro-ring resonator

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Authors: Ferhat Kadioglu, Ahmet Reha Gunay

Abstract:

Correct measurement of a structural damping value is an important issue for the reliable design of the components exposed to vibratory and noise conditions. As far as a vibrating beam technique is concerned, the specimens under the test somehow are interacted with measuring and exciting devices and also with boundary conditions of the test set-up. The aim of this study is to propose a vibrating beam method that offers a non-contact dynamic measurement of solid beam specimens. To evaluate possible effects of the clamped portion of the specimens with clamped-free ends on the dynamic values (damping and the elastic modulus), the same measuring devices were used, and the results were compared to those with the free-free ends. To get clear idea about the sensitivity of the boundary conditions to the damping values at low, medium and high levels, representative materials were subjected to the tests. The results show that the specimens with low damping values are especially sensitive to the boundary conditions and the most reliable structural damping values are obtained for the specimens with free-free ends. For the damping values at the low levels, a deviation of about 368% was obtained between the specimens with free-free and clamped-free ends, yet, for those having high inherent damping values, comparable results were obtained.

Keywords: Vibrating beam technique, dynamic values, damping, boundary conditions, non-contact measuring systems.

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

Abstract:

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: Askar Sabet, Abdolrasoul Fakhraee, Motahahre Ramezanpour, Noorallah Alipour

Abstract:

An efficient and green method for oxidation of thiols to the corresponding disulfides is reported using ionic liquid [HSO3N(C2H4OSO3H)3] in the presence of free nano-Fe2O3 at 60°C. Ionic liquid is selective oxidant for S-S Coupling variety aliphatic and aromatic of thiols to corresponding disulfide in the presence of free nano-Fe2O3 as recoverable catalyst. Reaction has been performed in methanol as an inexpensive solvent. This reaction is clean and easy work-up with no side reaction.

Keywords: Thiol, Disulfide, Ionic liquid, Free Nano-Fe2O3, Oxidation, Coupling.

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Authors: Negar Riazifar, Nigel G. Stocks

Abstract:

This paper proposes strategies in level crossing (LC) sampling and reconstruction that provide alias-free high-fidelity signal reconstruction for speech signals without exponentially increasing sample number with increasing bit-depth. We introduce methods in LC sampling that reduce the sampling rate close to the Nyquist frequency even for large bit-depth. The results indicate that larger variation in the sampling intervals leads to alias-free sampling scheme; this is achieved by either reducing the bit-depth or adding a jitter to the system for high bit-depths. In conjunction with windowing, the signal is reconstructed from the LC samples using an efficient Toeplitz reconstruction algorithm.

Keywords: Alias-free, level crossing sampling, spectrum, trigonometric polynomial.

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Authors: Tamal Bose, Zhurun Zhang, Miloje Radenkovic, Ojas Chauhan

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In this paper, a novel approach is presented for designing multiplier-free state-space digital filters. The multiplier-free design is obtained by finding power-of-2 coefficients and also quantizing the state variables to power-of-2 numbers. Expressions for the noise variance are derived for the quantized state vector and the output of the filter. A “structuretransformation matrix" is incorporated in these expressions. It is shown that quantization effects can be minimized by properly designing the structure-transformation matrix. Simulation results are very promising and illustrate the design algorithm.

Keywords: Digital filters, minimum noise, multiplier-free, quantization, state-space.

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Authors: Kulaya Wimolwat, Panlop Chakravitthamrong, Neti Waranuch

Abstract:

Background: Seborrheic dermatitis is a common chronic skin condition affecting the face, scalp, chest, and trunk. The cause of seborrheic dermatitis is still unknown. Sebum production, lipid composition, hormone levels, and Malassezia species have been suggested as important factors in the development of seborrheic dermatitis. Curcuma aeruginosa Roxb. extract-containing cream with anti-inflammatory and anti-androgenic properties may be beneficial for treating mild to moderate facial seborrheic dermatitis. Objectives: We evaluated the efficacy and safety of 2% C. aeruginosa Roxb. extract-containing cream in the treatment of mild to moderate seborrheic dermatitis. Methods: This was a prospective, open-label, and non-comparative study. Ten adult patients clinically diagnosed with mild to moderate seborrheic dermatitis were enrolled in a four-week study. The 2% C. aeruginosa Roxb. cream was applied twice daily to a lesional area on the face for four weeks. The Scoring Index (SI) ranking system on days 14 and 28 was compared with that at baseline to determine the efficacy of treatment. The adverse events (burning sensation and erythema) were evaluated on days 14 and 28 to determine the safety of the treatment. Results: Significant improvement was observed in the reduction of the mean SI at day 14 (2.9) and 28 (1.4) compared to that at baseline (4.9). An adverse reaction was observed on day 14 (mild erythema 20% and mild burning sensation 10%) and was resolved by the end of the study. Conclusion: This open-label pilot study has shown that there was a significant improvement in the severity in these seborrheic patients and most reported they were satisfied with it. Reported adverse events were all mild.

Keywords: Anti-androgenic, antifungals, anti-inflammatory, Curcuma aeruginosa, seborrheic dermatitis, efficacy, safety.

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Authors: G. Sakar, F. Ç. Bolat

Abstract:

In this study free vibration analysis of aluminum honeycomb sandwich structures were carried out experimentally and numerically. The natural frequencies and mode shapes of sandwich structures fabricated with different configurations for clamped-free boundary condition were determined. The effects of lower and upper face sheet thickness, the core material thickness, cell diameter, cell angle and foil thickness on the vibration characteristics were examined. The numerical studies were performed with ANSYS package. While the sandwich structures were modeled in ANSYS the continuum model was used. Later, the numerical results were compared with the experimental findings.

Keywords: Sandwich structure, free vibration, numeric analysis, 3D model, continuum model.

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Authors: Minghui Wang, Juntao Zhang

Abstract:

An inversion-free iterative algorithm is presented for solving nonlinear matrix equation with a stepsize parameter t. The existence of the maximal solution is discussed in detail, and the method for finding it is proposed. Finally, two numerical examples are reported that show the efficiency of the method.

Keywords: Inversion-free method, Hermitian positive definite solution, Maximal solution, Convergence.

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Authors: Bahadur Singh Hathan, B. L. Prassana

Abstract:

Most of the commercial gluten free products are nutritionally inferior when compared to gluten containing counterparts as manufacturers most often use the refined flours and starches. So it is possible that people on gluten free diet have low intake of fibre content. The foxtail millet flour and copra meal are gluten free and have high fibre and protein contents. The formulation of fibre rich gluten free cookies was optimized by response surface methodology considering independent process variables as proportion of Foxtail millet (Setaria italica) flour in mixed flour, fat content and guar gum. The sugar, sodium chloride, sodium bicarbonates and water were added in fixed proportion as 60, 1.0, 0.4 and 20% of mixed flour weight, respectively. Optimum formulation obtained for maximum spread ratio, fibre content, surface L-value, overall acceptability and minimum breaking strength were 80% foxtail millet flour in mixed flour, 42.8 % fat content and 0.05% guar gum.

Keywords: Copra meal flour, Fiber rich gluten-free cookies, Foxtail millet flour, Optimization

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Authors: Mojtaba Aghamiri Esfahani, Mohammad Karkon, Seyed Majid Hosseini Nezhad, Reza Hosseini-Ara

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In this study, the effect of uncertainty in elastic modulus of a plate on free vibration response is investigated. For this purpose, the elastic modulus of the plate is modeled as stochastic variable with normal distribution. Moreover, the distance autocorrelation function is used for stochastic field. Then, by applying the finite element method and Monte Carlo simulation, stochastic finite element relations are extracted. Finally, with a numerical test, the effect of uncertainty in the elastic modulus on free vibration response of a plate is studied. The results show that the effect of uncertainty in elastic modulus of the plate cannot play an important role on the free vibration response.

Keywords: Stochastic finite elements, plate bending, free vibration, Monte Carlo, Neumann expansion method.

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Authors: F. Soleymani, M. Sharifi

Abstract:

Most of the nonlinear equation solvers do not converge always or they use the derivatives of the function to approximate the root of such equations. Here, we give a derivative-free algorithm that guarantees the convergence. The proposed two-step method, which is to some extent like the secant method, is accompanied with some numerical examples. The illustrative instances manifest that the rate of convergence in proposed algorithm is more than the quadratically iterative schemes.

Keywords: Non-linear equation, iterative methods, derivative-free, convergence.

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Authors: A. Izadbakhsh, M. M. Fateh

Abstract:

A model-free robust control (MFRC) approach is proposed for position control of robot manipulators in the state space. The control approach is verified analytically to be robust subject to uncertainties including external disturbances, unmodeled dynamics, and parametric uncertainties. There is a high flexibility to work on different systems including actuators by the use of the proposed control approach. The proposed control approach can guarantee the robustness of control system. A PUMA 560 robot driven by geared permanent magnet dc motors is simulated. The simulation results show a satisfactory performance for control system under technical specifications. KeywordsModel-free, robust control, position control, PUMA 560.

Keywords: Model-free, robust control, position control, PUMA 560.

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Authors: Basavaraj Vadavadagi, Satishkumar Shekhawat

Abstract:

Interstitial free steels possess better formability and have many applications in automotive industries. Forming limit diagrams (FLDs) indicate the formability of materials which can be determined by experimental and finite element (FE) simulations. FLDs were determined experimentally by LDH test, utilizing optical strain measurement system for measuring the strains in different width specimens and by FE simulations in Interstitial Free (IF) and Interstitial Free High Strength (IFHS) steels. In this study, the experimental and FE simulated FLDs are compared and also the stress based FLDs were investigated.

Keywords: Forming limit diagram, Limiting Dome Height, optical strain measurement, interstitial

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Authors: Andres G. Victorio, Montita Rungswang

Abstract:

A free-trade agreement is found to increase Thailand-s agricultural imports from New Zealand, despite the short span of time for which the agreement has been operational. The finding is described by autoregressive estimates that correct for possible unit roots in the data. The agreement-s effect upon imports is also estimated while considering an error-correction model of imports against gross domestic product.

Keywords: Agricultural imports, free trade, unit roots, cointegration, error correction.

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Authors: R. Khadim, M. Erritali, A. Maaden

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Localization of nodes is one of the key issues of Wireless Sensor Network (WSN) that gained a wide attention in recent years. The existing localization techniques can be generally categorized into two types: range-based and range-free. Compared with rang-based schemes, the range-free schemes are more costeffective, because no additional ranging devices are needed. As a result, we focus our research on the range-free schemes. In this paper we study three types of range-free location algorithms to compare the localization error and energy consumption of each one. Centroid algorithm requires a normal node has at least three neighbor anchors, while DV-hop algorithm doesn’t have this requirement. The third studied algorithm is the amorphous algorithm similar to DV-Hop algorithm, and the idea is to calculate the hop distance between two nodes instead of the linear distance between them. The simulation results show that the localization accuracy of the amorphous algorithm is higher than that of other algorithms and the energy consumption does not increase too much.

Keywords: Wireless Sensor Networks, Node Localization, Centroid Algorithm, DV–Hop Algorithm, Amorphous Algorithm.

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Authors: Nilson Barbieri, Renato Barbieri

Abstract:

–In this paper the damage in clamped-free, clampedclamped and free-free beam are analyzed considering samples without and with structural modifications. The damage location is investigated by the use of the bispectrum and wavelet analysis. The mathematical models are obtained using 2D elasticity theory and the Finite Element Method (FEM). The numerical and experimental data are approximated using the Particle Swarm Optimizer (PSO) method and this way is possible to adjust the localization and the severity of the damage. The experimental data are obtained through accelerometers placed along the sample. The system is excited using impact hammer.

Keywords: Damage, beam, PSO, bispectrum, wavelet transform

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Authors: Maja Benkovic, Ingrid Bauman

Abstract:

The objective of this work was to investigate flow properties of powdered infant formula samples. Samples were purchased at a local pharmacy and differed in composition. Lactose free infant formula, gluten free infant formula and infant formulas containing dietary fibers and probiotics were tested and compared with a regular infant formula sample which did not contain any of these supplements. Particle size and bulk density were determined and their influence on flow properties was discussed. There were no significant differences in bulk densities of the samples, therefore the connection between flow properties and bulk density could not be determined. Lactose free infant formula showed flow properties different to standard supplement-free sample. Gluten free infant formula with addition of probiotic microorganisms and dietary fiber had the narrowest particle size distribution range and exhibited the best flow properties. All the other samples exhibited the same tendency of decreasing compaction coefficient with increasing flow speed, which means they all become freer flowing with higher flow speeds.

Keywords: flow properties, infant formula, powderedmaterial

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Authors: Mansour Nikkhah-Bahrami, Masih Loghmani, Mostafa Pooyanfar

Abstract:

In this paper, an analytical approach for free vibration analysis of rectangular and circular membranes is presented. The method is based on wave approach. From wave standpoint vibration propagate, reflect and transmit in a structure. Firstly, the propagation and reflection matrices for rectangular and circular membranes are derived. Then, these matrices are combined to provide a concise and systematic approach to free vibration analysis of membranes. Subsequently, the eigenvalue problem for free vibration of membrane is formulated and the equation of membrane natural frequencies is constructed. Finally, the effectiveness of the approach is shown by comparison of the results with existing classical solution.

Keywords: Rectangular and circular membranes, propagation matrix, reflection matrix, vibration analysis.

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Authors: E. Marei, A. Hammad, S. Ismail, A. El-Gindy

Abstract:

This study aims to investigate the ability of different formula of mixed bacteria as a biological treatments of wastewater after primary treatment as a bio-treatment and bio-removal and bio-adsorbent of different heavy metals in natural circumstances. The wastewater was collected from Sarpium forest site-Ismailia Governorate, Egypt. These treatments were mixture of free cells and mixture of immobilized cells of different bacteria. These different formulas of mixed bacteria were prepared under Lab. condition. The obtained data indicated that, as a result of wastewater bio-treatment, the removal rate was found to be 76.92 and 76.70% for biological oxygen demand, 79.78 and 71.07% for chemical oxygen demand, 32.45 and 36.84 % for ammonia nitrogen as well as 91.67 and 50.0% for phosphate after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively. Moreover, the bio-removals of different heavy metals were found to reach 90.0 and 50. 0% for Cu ion, 98.0 and 98.5% for Fe ion, 97.0 and 99.3% for Mn ion, 90.0 and 90.0% Pb, 80.0% and 75.0% for Zn ion after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively. The results indicated that 13.86 and 17.43% of removal efficiency and reduction of total dissolved solids were achieved after 24 and 28 hrs with mixed free cells and mixed immobilized cells, respectively.

Keywords: Biological desalination, bio-sorption heavy metals, free cell bacteria, immobilized bacteria, wastewater bio-treatment.

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Authors: Z. Altawallbeh

Abstract:

In this paper, an explicit homotopic function is constructed to compute the Hochschild homology of a finite dimensional free k-module V. Because the polynomial algebra is of course fundamental in the computation of the Hochschild homology HH and the cyclic homology CH of commutative algebras, we concentrate our work to compute HH of the polynomial algebra, by providing certain homotopic function.

Keywords: Exterior algebra, free resolution, free and projective modules, Hochschild homology, homotopic function, symmetric algebra.

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Authors: Sana Bembli, Nahla Khraief Haddad, Safya Belghith

Abstract:

This paper deals with a robust model free terminal sliding mode with gravity compensation approach used to control an exoskeleton-upper limb system. The considered system is a 2-DoF robot in interaction with an upper limb used for rehabilitation. The aim of this paper is to control the flexion/extension movement of the shoulder and the elbow joints in presence of matched disturbances. In the first part, we present the exoskeleton-upper limb system modeling. Then, we controlled the considered system by the model free terminal sliding mode with gravity compensation. A stability study is realized. To prove the controller performance, a robustness analysis was needed. Simulation results are provided to confirm the robustness of the gravity compensation combined with to the Model free terminal sliding mode in presence of uncertainties.

Keywords: Exoskeleton-upper limb system, gravity compensation, model free terminal sliding mode, robustness analysis, Monte Carlo, H∞ methods.

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Authors: Worawoot Prasitturattanachai, Kamchai Nuithitikul

Abstract:

The conventional production of biodiesel from crude palm oil which contains large amounts of free fatty acids in the presence of a homogeneous base catalyst confronts the problems of soap formation and very low yield of biodiesel. To overcome these problems, free fatty acids must be esterified to their esters in the presence of an acid catalyst prior to alkaline-catalyzed transesterification. Sulfated metal oxides are a promising group of catalysts due to their very high acidity. In this research, aluminadoped sulfated tin oxide (SO4 2-/Al2O3-SnO2) catalysts were prepared and used for esterification of free fatty acids in crude palm oil in a batch reactor. The SO4 2-/Al2O3-SnO2 catalysts were prepared from different Al precursors. The results showed that different Al precursors gave different activities of the SO4 2-/Al2O3-SnO2 catalysts. The esterification of free fatty acids in crude palm oil with methanol in the presence of SO4 2-/Al2O3-SnO2 catalysts followed first-order kinetics.

Keywords: Methyl ester, Biodiesel, Esterification, Sulfated tin oxide, Fatty acid.

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Authors: Aleksandrs Kovalcuks

Abstract:

Egg yolk oil is a natural source of bioactive compounds such as unsaturated fatty acids, oil soluble vitamins, pigments and others. Bioactive compound content in egg yolk oil depends from its content in eggs, from which oil was extracted. Many studies show that bioactive compound content in egg is correlated to the content of these compounds in hen feed, but there is also an opinion that hen housing systems also have influence on egg chemical content. The aim of this study was to determine which factor, laying hen housing system or hen diet, has a primary influence on bioactive compound content in egg yolk oil. The egg yolk oil was extracted from eggs obtained from 4 different hen housing systems: cage, barn and two groups of free range. All hens were fed with commercially produced compound feed except one group of free range hens which get free diet – pastured hens. Extracted egg yolk oils were analyzed for fatty acids, oil soluble vitamins and β-carotene content. α-tocopherol, ergocalcipherol and polyunsaturated fatty acid content in egg yolk oil was higher from eggs obtained from all housing systems where hens were fed with commercial compound feed. β-carotene and retinol content in egg yolk oils from free range free diet eggs was significantly (p>0.05) higher that from other eggs because hens have access to green forage. Hen physical activity in free range housing systems decreases content of some bioactive compound in egg yolk oil.

Keywords: Egg yolk oil, vitamins, caged eggs, free range.

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Authors: Kai-Long Hsiao

Abstract:

In this study, an analysis has been performed for free convection with radiation effect over a thermal forming nonlinearly stretching sheet. Parameters n, k0, Pr, G represent the dominance of the nonlinearly effect, radiation effect, heat transfer and free convection effects which have been presented in governing equations, respectively. The similarity transformation and the finite-difference methods have been used to analyze the present problem. From the results, we find that the effects of parameters n, k0, Pr, Ec and G to the nonlinearly stretching sheet. The increase of Prandtl number Pr, free convection parameter G or radiation parameter k0 resulting in the increase of heat transfer effects, but increase of the viscous dissipation number Ec will decrease of heat transfer effect.

Keywords: Nonlinearly stretching sheet, Free convection, Finite-difference, Radiation effect.

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Authors: Meghal Desai, Jigisha Parikh

Abstract:

Aggregation behavior of sodium salicylate and sodium cumene sulfonate was studied in aqueous solution at different temperature. Specific conductivity and relative viscosity were measured at different temperature to find minimum hydrotropic concentration. The thermodynamic parameters (free energy, enthalpy and entropy) were evaluated in the temperature range of 30°C-70°C. The free energy decreased with increase in temperature. The aggregation was found to be exothermic in nature and favored by positive value of entropy.

Keywords: Hydrotropes, Enthalpy, Entropy, Free Energy, Minimum Hydrotropic Concentration.

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Authors: Yang Xiaoliang, Liu Wei, Wang Hongbo, Zhao Yunfei

Abstract:

Numerical investigation of the characteristics of an 80° delta wing in combined force-pitch and free-roll is presented. The implicit, upwind, flux-difference splitting, finite volume scheme and the second-order-accurate finite difference scheme are employed to solve the flow governing equations and Euler rigid-body dynamics equations, respectively. The characteristics of the delta wing in combined free-roll and large amplitude force-pitch is obtained numerically and shows a well agreement with experimental data qualitatively. The motion in combined force-pitch and free-roll significantly reduces the lift force and transverse stabilities of the delta wing, which is closely related to the flying safety. Investigations on sensitive factors indicate that the roll-axis moment of inertia and the structural damping have great influence on the frequency and amplitude, respectively. Moreover, the turbulence model is considered as an influencing factor in the investigation.

Keywords: combined force-pitch and free-roll, numericalsimulation, sensitive factors, slender delta wing, wing rock

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Authors: T. H. Young, Y. J. Tsai

Abstract:

A method for determining the stress distribution of a rectangular plate subjected to two pairs of arbitrarily distributed in-plane edge shear loads is proposed, and the free vibration and buckling of such a rectangular plate are investigated in this work.  The method utilizes two stress functions to synthesize the stress-resultant field of the plate with each of the stress functions satisfying the biharmonic compatibility equation. The sum of stress-resultant fields due to these two stress functions satisfies the boundary conditions at the edges of the plate, from which these two stress functions are determined. Then, the free vibration and buckling of the rectangular plate are investigated by the Galerkin method. Numerical results obtained by this work are compared with those appeared in the literature, and good agreements are observed.

Keywords: Stress analysis, free vibration, plate buckling, nonuniform in-plane edge shear.

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Authors: Mansour Nikkhah-Bahrami, Masih Loghmani, Mostafa Pooyanfar

Abstract:

In this paper, an analytical approach for free vibration analysis of four edges simply supported rectangular Kirchhoff plates is presented. The method is based on wave approach. From wave standpoint vibration propagate, reflect and transmit in a structure. Firstly, the propagation and reflection matrices for plate with simply supported boundary condition are derived. Then, these matrices are combined to provide a concise and systematic approach to free vibration analysis of a simply supported rectangular Kirchhoff plate. Subsequently, the eigenvalue problem for free vibration of plates is formulated and the equation of plate natural frequencies is constructed. Finally, the effectiveness of the approach is shown by comparison of the results with existing classical solution.

Keywords: Kirchhoff plate, propagation matrix, reflection matrix, vibration analysis.

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Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

Abstract:

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

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