Search results for: Plastic equation of state
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3391

Search results for: Plastic equation of state

3031 Equations of Pulse Propagation in Three-Layer Structure of As2S3 Chalcogenide Plasmonic Nano-Waveguides

Authors: Leila Motamed-Jahromi, Mohsen Hatami, Alireza Keshavarz

Abstract:

This research aims at obtaining the equations of pulse propagation in nonlinear plasmonic waveguides created with As2S3 chalcogenide materials. Via utilizing Helmholtz equation and first-order perturbation theory, two components of electric field are determined within frequency domain. Afterwards, the equations are formulated in time domain. The obtained equations include two coupled differential equations that considers nonlinear dispersion.

Keywords: Nonlinear optics, propagation equation, plasmonic waveguide.

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3030 Production Planning and Measuring Method for Non Patterned Production System Using Stock Cutting Model

Authors: S. Homrossukon, D. Aromstain

Abstract:

The simple methods used to plan and measure non patterned production system are developed from the basic definition of working efficiency. Processing time is assigned as the variable and used to write the equation of production efficiency. Consequently, such equation is extensively used to develop the planning method for production of interest using one-dimensional stock cutting problem. The application of the developed method shows that production efficiency and production planning can be determined effectively.

Keywords: Production Planning, Parallel Machine, Production Measurement, Cutting and Packing.

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3029 A New Algorithm for Determining the Leading Coefficient of in the Parabolic Equation

Authors: Shiping Zhou, Minggen Cui

Abstract:

This paper investigates the inverse problem of determining the unknown time-dependent leading coefficient in the parabolic equation using the usual conditions of the direct problem and an additional condition. An algorithm is developed for solving numerically the inverse problem using the technique of space decomposition in a reproducing kernel space. The leading coefficients can be solved by a lower triangular linear system. Numerical experiments are presented to show the efficiency of the proposed methods.

Keywords: parabolic equations, coefficient inverse problem, reproducing kernel.

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3028 Bearing Behavior of a Hybrid Monopile Foundation for Offshore Wind Turbines

Authors: Zicheng Wang

Abstract:

Offshore wind energy provides a huge potential for the expansion of renewable energies to the coastal countries. High demands are required concerning the shape and type of foundations for offshore wind turbines (OWTs) to find an economically, technically and environmentally-friendly optimal solution. A promising foundation concept is the hybrid foundation system, which consists of a steel plate attached to the outer side of a hollow steel pipe pile. In this study, the bearing behavior of a large diameter foundation is analyzed using a 3-dimensional finite element (FE) model. Non-linear plastic soil behavior is considered. The results of the numerical simulations are compared to highlight the priority of the hybrid foundation to the conventional monopile foundation.

Keywords: Hybrid foundation system, mechanical parameters, plastic soil behaviors, numerical simulations.

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3027 Single Image Defogging Method Using Variational Approach for Edge-Preserving Regularization

Authors: Wan-Hyun Cho, In-Seop Na, Seong-ChaeSeo, Sang-Kyoon Kim, Soon-Young Park

Abstract:

In this paper, we propose the variational approach to solve single image defogging problem. In the inference process of the atmospheric veil, we defined new functional for atmospheric veil that satisfy edge-preserving regularization property. By using the fundamental lemma of calculus of variations, we derive the Euler-Lagrange equation foratmospheric veil that can find the maxima of a given functional. This equation can be solved by using a gradient decent method and time parameter. Then, we can have obtained the estimated atmospheric veil, and then have conducted the image restoration by using inferred atmospheric veil. Finally we have improved the contrast of restoration image by various histogram equalization methods. The experimental results show that the proposed method achieves rather good defogging results.

Keywords: Image defogging, Image restoration, Atmospheric veil, Transmission, Variational approach, Euler-Lagrange equation, Image enhancement.

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3026 Study on Optimal Control Strategy of PM2.5 in Wuhan, China

Authors: Qiuling Xie, Shanliang Zhu, Zongdi Sun

Abstract:

In this paper, we analyzed the correlation relationship among PM2.5 from other five Air Quality Indices (AQIs) based on the grey relational degree, and built a multivariate nonlinear regression equation model of PM2.5 and the five monitoring indexes. For the optimal control problem of PM2.5, we took the partial large Cauchy distribution of membership equation as satisfaction function. We established a nonlinear programming model with the goal of maximum performance to price ratio. And the optimal control scheme is given.

Keywords: Grey relational degree, multiple linear regression, membership function, nonlinear programming.

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3025 Steady State of Passive and Active Suspensions in the Physical Domain

Authors: Gilberto Gonzalez-A, Jorge Madrigal

Abstract:

The steady state response of bond graphs representing passive and active suspension is presented. A bond graph with preferred derivative causality assignment to get the steady state is proposed. A general junction structure of this bond graph is proposed. The proposed methodology to passive and active suspensions is applied.

Keywords: Bond graph, steady state, active suspension.

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3024 Some Characterizations of Isotropic Curves In the Euclidean Space

Authors: Süha Yılmaz, Melih Turgut

Abstract:

The curves, of which the square of the distance between the two points equal to zero, are called minimal or isotropic curves [4]. In this work, first, necessary and sufficient conditions to be a Pseudo Helix, which is a special case of such curves, are presented. Thereafter, it is proven that an isotropic curve-s position vector and pseudo curvature satisfy a vector differential equation of fourth order. Additionally, In view of solution of mentioned equation, position vector of pseudo helices is obtained.

Keywords: Classical Differential Geometry, Euclidean space, Minimal Curves, Isotropic Curves, Pseudo Helix.

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3023 Lagrange and Multilevel Wavelet-Galerkin with Polynomial Time Basis for Heat Equation

Authors: Watcharakorn Thongchuay, Puntip Toghaw, Montri Maleewong

Abstract:

The Wavelet-Galerkin finite element method for solving the one-dimensional heat equation is presented in this work. Two types of basis functions which are the Lagrange and multi-level wavelet bases are employed to derive the full form of matrix system. We consider both linear and quadratic bases in the Galerkin method. Time derivative is approximated by polynomial time basis that provides easily extend the order of approximation in time space. Our numerical results show that the rate of convergences for the linear Lagrange and the linear wavelet bases are the same and in order 2 while the rate of convergences for the quadratic Lagrange and the quadratic wavelet bases are approximately in order 4. It also reveals that the wavelet basis provides an easy treatment to improve numerical resolutions that can be done by increasing just its desired levels in the multilevel construction process.

Keywords: Galerkin finite element method, Heat equation , Lagrange basis function, Wavelet basis function.

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3022 Hydrodynamic Modeling of Infinite Reservoir using Finite Element Method

Authors: M. A. Ghorbani, M. Pasbani Khiavi

Abstract:

In this paper, the dam-reservoir interaction is analyzed using a finite element approach. The fluid is assumed to be incompressible, irrotational and inviscid. The assumed boundary conditions are that the interface of the dam and reservoir is vertical and the bottom of reservoir is rigid and horizontal. The governing equation for these boundary conditions is implemented in the developed finite element code considering the horizontal and vertical earthquake components. The weighted residual standard Galerkin finite element technique with 8-node elements is used to discretize the equation that produces a symmetric matrix equation for the damreservoir system. A new boundary condition is proposed for truncating surface of unbounded fluid domain to show the energy dissipation in the reservoir, through radiation in the infinite upstream direction. The Sommerfeld-s and perfect damping boundary conditions are also implemented for a truncated boundary to compare with the proposed far end boundary. The results are compared with an analytical solution to demonstrate the accuracy of the proposed formulation and other truncated boundary conditions in modeling the hydrodynamic response of an infinite reservoir.

Keywords: Reservoir, finite element, truncated boundary, hydrodynamic pressure

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3021 Kinetics of Aggregation in Media with Memory

Authors: A. Brener, B. Balabekov, N. Zhumataev

Abstract:

In the paper we submit the non-local modification of kinetic Smoluchowski equation for binary aggregation applying to dispersed media having memory. Our supposition consists in that that intensity of evolution of clusters is supposed to be a function of the product of concentrations of the lowest orders clusters at different moments. The new form of kinetic equation for aggregation is derived on the base of the transfer kernels approach. This approach allows considering the influence of relaxation times hierarchy on kinetics of aggregation process in media with memory.

Keywords: Binary aggregation, Media with memory, Non-local model, Relaxation times

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3020 The Finite Difference Scheme for the Suspended String Equation with the Nonlinear External Forces

Authors: Jaipong Kasemsuwan

Abstract:

This paper presents the finite difference scheme and the numerical simulation of suspended string. The vibration solutions when the various external forces are taken into account are obtained and compared with the solutions without external force. In addition, we also investigate how the external forces and their powers and coefficients affect the amplitude of vibration.

Keywords: Nonlinear external forces, Numerical simulation, Suspended string equation.

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3019 Autonomous Vehicle Navigation Using Harmonic Functions via Modified Arithmetic Mean Iterative Method

Authors: Azali Saudi, Jumat Sulaiman

Abstract:

Harmonic functions are solutions to Laplace’s equation that are known to have an advantage as a global approach in providing the potential values for autonomous vehicle navigation. However, the computation for obtaining harmonic functions is often too slow particularly when it involves very large environment. This paper presents a two-stage iterative method namely Modified Arithmetic Mean (MAM) method for solving 2D Laplace’s equation. Once the harmonic functions are obtained, the standard Gradient Descent Search (GDS) is performed for path finding of an autonomous vehicle from arbitrary initial position to the specified goal position. Details of the MAM method are discussed. Several simulations of vehicle navigation with path planning in a static known indoor environment were conducted to verify the efficiency of the MAM method. The generated paths obtained from the simulations are presented. The performance of the MAM method in computing harmonic functions in 2D environment to solve path planning problem for an autonomous vehicle navigation is also provided.

Keywords: Modified Arithmetic Mean method, Harmonic functions, Laplace’s equation, path planning.

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3018 Experimental Study on Mechanical Properties of Commercially Pure Copper Processed by Severe Plastic Deformation Technique-Equal Channel Angular Extrusion

Authors: Krishnaiah Arkanti, Ramulu Malothu

Abstract:

The experiments have been conducted to study the mechanical properties of commercially pure copper processing at room temperature by severe plastic deformation using equal channel angular extrusion (ECAE) through a die of 90oangle up to 3 passes by route BC i.e. rotating the sample in the same direction by 90o after each pass. ECAE is used to produce from existing coarse grains to ultra-fine, equiaxed grains structure with high angle grain boundaries in submicron level by introducing a large amount of shear strain in the presence of hydrostatic pressure into the material without changing billet shape or dimension. Mechanical testing plays an important role in evaluating fundamental properties of engineering materials as well as in developing new materials and in controlling the quality of materials for use in design and construction. Yield stress, ultimate tensile stress and ductility are structure sensitive properties and vary with the structure of the material. Microhardness and tensile tests were carried out to evaluate the hardness, strength and ductility of the ECAE processed materials. The results reveal that the strength and hardness of commercially pure copper samples improved significantly without losing much ductility after each pass.

Keywords: Equal Channel Angular Extrusion, Severe Plastic Deformation, Copper, Mechanical Properties.

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3017 The Potential of Natural Waste (Corn Husk) for Production of Environmental Friendly Biodegradable Film for Seedling

Authors: M. Z. Norashikin, M. Z. Ibrahim

Abstract:

The use of plastic materials in agriculture causes serious hazards to the environment. The introduction of biodegradable materials, which can be disposed directly into the soil can be one possible solution to this problem. In the present research results of experimental tests carried out on biodegradable film fabricated from natural waste (corn husk) are presented. The film was characterized by Fourier transform infrared spectroscopy (FTIR), differential scanning calorimeter (DSC), thermal gravimetric analysis (TGA) and atomic force microscope (AFM) observation. The film is shown to be readily degraded within 7-9 months under controlled soil conditions, indicating a high biodegradability rate. The film fabricated was use to produce biodegradable pot (BioPot) for seedlings plantation. The introduction and the expanding use of biodegradable materials represent a really promising alternative for enhancing sustainable and environmentally friendly agricultural activities.

Keywords: Environment, waste, plastic, biodegradable.

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3016 Modeling of Steady State Creep in Thick-Walled Cylinders under Internal Pressure

Authors: Tejeet Singh, Ishavneet Singh

Abstract:

The present study focused on carrying out the creep analysis in an isotropic thick-walled composite cylindrical pressure vessel composed of aluminum matrix reinforced with silicon-carbide in particulate form. The creep behavior of the composite material has been described by the threshold stress based creep law. The values of stress exponent appearing in the creep law were selected as 3, 5 and 8. The constitutive equations were developed using well known von-Mises yield criteria. Models were developed to find out the distributions of creep stress and strain rate in thick-walled composite cylindrical pressure vessels under internal pressure. In order to obtain the stress distributions in the cylinder, the equilibrium equation of the continuum mechanics and the constitutive equations are solved together. It was observed that the radial stress, tangential stress and axial stress increases along with the radial distance. The cross-over was also obtained almost at the middle region of cylindrical vessel for tangential and axial stress for different values of stress exponent. The strain rates were also decreasing in nature along the entire radius.

Keywords: Steady state creep, composite, cylinder, pressure.

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3015 Applying the Crystal Model Approach on Light Nuclei for Calculating Radii and Density Distribution

Authors: A. Amar

Abstract:

A new model namely, the crystal model, has been modified to calculate radius and density distribution of light nuclei up to 8Be. The crystal model has been modified according to solid state physics which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has been obtained from the analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in general form. The equation used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in 6Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+6,7Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both radius and density distribution of light nuclei. The model failed to calculate the radius of 9Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear lattice, crystal model, light nuclei, nuclear density distributions

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3014 Design of Multiplier-free State-Space Digital Filters

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

Abstract:

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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3013 Dynamics of a Vapour Bubble inside a Vertical Rigid Cylinder in the Absence of Buoyancy Forces

Authors: S. Mehran, S. Rouhi, F.Rouzbahani, E. Haghgoo

Abstract:

In this paper, growth and collapse of a vapour bubble generated due to a local energy input inside a rigid cylinder and in the absence of buoyancy forces is investigated using Boundary Integral Equation Method and Finite Difference Method .The fluid is treated as potential flow and Boundary Integral Equation Method is used to solve Laplace-s equation for velocity potential. Different ratios of the diameter of the rigid cylinder to the maximum radius of the bubble are considered. Results show that during the collapse phase of the bubble inside a vertical rigid cylinder, two liquid micro jets are developed on the top and bottom sides of the vapour bubble and are directed inward. It is found that by increasing the ratio of the cylinder diameter to the maximum radius of the bubble, the rate of the growth and collapse phases of the bubble increases and the life time of the bubble decreases.

Keywords: Vapour bubble, Vertical rigid cylinder, Boundaryelement method, Finite difference method, Buoyancy forces.

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3012 The Global Stability Using Lyapunov Function

Authors: R. Kongnuy, E. Naowanich, T. Kruehong

Abstract:

An important technique in stability theory for differential equations is known as the direct method of Lyapunov. In this work we deal global stability properties of Leptospirosis transmission model by age group in Thailand. First we consider the data from Division of Epidemiology Ministry of Public Health, Thailand between 1997-2011. Then we construct the mathematical model for leptospirosis transmission by eight age groups. The Lyapunov functions are used for our model which takes the forms of an Ordinary Differential Equation system. The globally asymptotically for equilibrium states are analyzed.

Keywords: Age Group, Leptospirosis, Lyapunov Function, Ordinary Differential Equation.

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3011 Approximate Solution of Nonlinear Fredholm Integral Equations of the First Kind via Converting to Optimization Problems

Authors: Akbar H. Borzabadi, Omid S. Fard

Abstract:

In this paper we introduce an approach via optimization methods to find approximate solutions for nonlinear Fredholm integral equations of the first kind. To this purpose, we consider two stages of approximation. First we convert the integral equation to a moment problem and then we modify the new problem to two classes of optimization problems, non-constraint optimization problems and optimal control problems. Finally numerical examples is proposed.

Keywords: Fredholm integral equation, Optimization method, Optimal control, Nonlinear and linear programming

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3010 A Robust Software for Advanced Analysis of Space Steel Frames

Authors: Viet-Hung Truong, Seung-Eock Kim

Abstract:

This paper presents a robust software package for practical advanced analysis of space steel framed structures. The pre- and post-processors of the presented software package are coded in the C++ programming language while the solver is written by using the FORTRAN programming language. A user-friendly graphical interface of the presented software is developed to facilitate the modeling process and result interpretation of the problem. The solver employs the stability functions for capturing the second-order effects to minimize modeling and computational time. Both the plastic-hinge and fiber-hinge beam-column elements are available in the presented software. The generalized displacement control method is adopted to solve the nonlinear equilibrium equations.

Keywords: Advanced analysis, beam-column, fiber-hinge, plastic hinge, steel frame.

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3009 Solution of Nonlinear Second-Order Pantograph Equations via Differential Transformation Method

Authors: Nemat Abazari, Reza Abazari

Abstract:

In this work, we successfully extended one-dimensional differential transform method (DTM), by presenting and proving some theorems, to solving nonlinear high-order multi-pantograph equations. This technique provides a sequence of functions which converges to the exact solution of the problem. Some examples are given to demonstrate the validity and applicability of the present method and a comparison is made with existing results.

Keywords: Nonlinear multi-pantograph equation, delay differential equation, differential transformation method, proportional delay conditions, closed form solution.

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3008 Analysis of Driving Conditions and Preferred Media on Diversion

Authors: Yoon-Hyuk Choi

Abstract:

Studies on the distribution of traffic demands have been proceeding by providing traffic information for reducing greenhouse gases and reinforcing the road's competitiveness in the transport section, however, since it is preferentially required the extensive studies on the driver's behavior changing routes and its influence factors, this study has been developed a discriminant model for changing routes considering driving conditions including traffic conditions of roads and driver's preferences for information media. It is divided into three groups depending on driving conditions in group classification with the CART analysis, which is statistically meaningful. And the extent that driving conditions and preferred media affect a route change is examined through a discriminant analysis, and it is developed a discriminant model equation to predict a route change. As a result of building the discriminant model equation, it is shown that driving conditions affect a route change much more, the entire discriminant hit ratio is derived as 64.2%, and this discriminant equation shows high discriminant ability more than a certain degree.

Keywords: CART analysis, Diversion, Discriminant model, Driving conditions, and preferred media

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3007 Modeling and Simulation of Acoustic Link Using Mackenize Propagation Speed Equation

Authors: Christhu Raj M. R., Rajeev Sukumaran

Abstract:

Underwater acoustic networks have attracted great attention in the last few years because of its numerous applications. High data rate can be achieved by efficiently modeling the physical layer in the network protocol stack. In Acoustic medium, propagation speed of the acoustic waves is dependent on many parameters such as temperature, salinity, density, and depth. Acoustic propagation speed cannot be modeled using standard empirical formulas such as Urick and Thorp descriptions. In this paper, we have modeled the acoustic channel using real time data of temperature, salinity, and speed of Bay of Bengal (Indian Coastal Region). We have modeled the acoustic channel by using Mackenzie speed equation and real time data obtained from National Institute of Oceanography and Technology. It is found that acoustic propagation speed varies between 1503 m/s to 1544 m/s as temperature and depth differs. The simulation results show that temperature, salinity, depth plays major role in acoustic propagation and data rate increases with appropriate data sets substituted in the simulated model.

Keywords: Underwater Acoustics, Mackenzie Speed Equation, Temperature, Salinity.

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3006 Numerical Algorithms for Solving a Type of Nonlinear Integro-Differential Equations

Authors: Shishen Xie

Abstract:

In this article two algorithms, one based on variation iteration method and the other on Adomian's decomposition method, are developed to find the numerical solution of an initial value problem involving the non linear integro differantial equation where R is a nonlinear operator that contains partial derivatives with respect to x. Special cases of the integro-differential equation are solved using the algorithms. The numerical solutions are compared with analytical solutions. The results show that these two methods are efficient and accurate with only two or three iterations

Keywords: variation iteration method, decomposition method, nonlinear integro-differential equations

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3005 Influence of Different Asymmetric Rolling Processes on Shear Strain

Authors: A. Pesin, D. Pustovoytov, M. Sverdlik

Abstract:

Materials with ultrafine-grained structure and unique physical and mechanical properties can be obtained by methods of severe plastic deformation, which include processes of asymmetric rolling (AR). Asymmetric rolling is a very effective way to create ultrafine-grained structures of metals and alloys. Since the asymmetric rolling is a continuous process, it has great potential for industrial production of ultrafine-grained structure sheets. Basic principles of asymmetric rolling are described in detail in scientific literature. In this work finite element modeling of asymmetric rolling and metal forming processes in multiroll gauge was performed. Parameters of the processes which allow achieving significant values of shear strain were defined. The results of the study will be useful for the research of the evolution of ultra-fine metal structure in asymmetric rolling.

Keywords: Asymmetric rolling, equivalent strain, FEM, multiroll gauge, profile, severe plastic deformation, shear strain, sheet.

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3004 The Application of Hybrid Orthonomal Bernstein and Block-Pulse Functions in Finding Numerical Solution of Fredholm Fuzzy Integral Equations

Authors: Mahmoud Zarrini, Sanaz Torkaman

Abstract:

In this paper, we have proposed a numerical method for solving fuzzy Fredholm integral equation of the second kind. In this method a combination of orthonormal Bernstein and Block-Pulse functions are used. In most cases, the proposed method leads to the exact solution. The advantages of this method are shown by an example and calculate the error analysis.

Keywords: Fuzzy Fredholm Integral Equation, Bernstein, Block-Pulse, Orthonormal.

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3003 Biomethanation of Palm Oil Mill Effluent (POME) by Membrane Anaerobic System (MAS) using POME as a Substrate

Authors: N.H. Abdurahman, Y. M. Rosli, N. H. Azhari, S. F. Tam

Abstract:

The direct discharge of palm oil mill effluent (POME) wastewater causes serious environmental pollution due to its high chemical oxygen demand (COD) and biochemical oxygen demand (BOD). Traditional ways for POME treatment have both economical and environmental disadvantages. In this study, a membrane anaerobic system (MAS) was used as an alternative, cost effective method for treating POME. Six steady states were attained as a part of a kinetic study that considered concentration ranges of 8,220 to 15,400 mg/l for mixed liquor suspended solids (MLSS) and 6,329 to 13,244 mg/l for mixed liquor volatile suspended solids (MLVSS). Kinetic equations from Monod, Contois and Chen & Hashimoto were employed to describe the kinetics of POME treatment at organic loading rates ranging from 2 to 13 kg COD/m3/d. throughout the experiment, the removal efficiency of COD was from 94.8 to 96.5% with hydraulic retention time, HRT from 400.6 to 5.7 days. The growth yield coefficient, Y was found to be 0.62gVSS/g COD the specific microorganism decay rate was 0.21 d-1 and the methane gas yield production rate was between 0.25 l/g COD/d and 0.58 l/g COD/d. Steady state influent COD concentrations increased from 18,302 mg/l in the first steady state to 43,500 mg/l in the sixth steady state. The minimum solids retention time, which was obtained from the three kinetic models ranged from 5 to 12.3 days. The k values were in the range of 0.35 – 0.519 g COD/ g VSS • d and values were between 0.26 and 0.379 d-1. The solids retention time (SRT) decreased from 800 days to 11.6 days. The complete treatment reduced the COD content to 2279 mg/l equivalent to a reduction of 94.8% reduction from the original.

Keywords: COD reduction, POME, kinetics, membrane, anaerobic, monod, contois equation.

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3002 Strong Adhesion and High Wettability at Polyetheretherketone-Resin/Titanium-Dioxide Interface Obtained with Crystal-Orientation Control

Authors: Tomio Iwasaki, Yosuke Kawahito

Abstract:

The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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