Search results for: one and two- dimensional Schrodinger equation.

Authors: Surender Singh Jadav, Venkatesan Jayaprakash, Arijit Basu, Barij Nayan Sinha

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Chikungunya virus (CHICKV) is an arboviruses belonging to family Tagoviridae and is transmitted to human through by mosquito (Aedes aegypti and Aedes albopictus) bite. A large outbreak of chikungunya has been reported in India between 2006 and 2007, along with several other countries from South-East Asia and for the first time in Europe. It was for the first time that the CHICKV outbreak has been reported with mortality from Reunion Island and increased mortality from Asian countries. CHICKV affects all age groups, and currently there are no specific drugs or vaccine to cure the disease. The need of antiviral agents for the treatment of CHICKV infection and the success of virtual screening against many therapeutically valuable targets led us to carry out the structure based drug design against Chikungunya nSP2 protease (PDB: 3TRK). Highthroughput virtual screening of publicly available databases, ZINC12 and BindingDB, has been carried out using the Openeye tools and Schrodinger LLC software packages. Openeye Filter program has been used to filter the database and the filtered outputs were docked using HTVS protocol implemented in GLIDE package of Schrodinger LLC. The top HITS were further used for enriching the similar molecules from the database through vROCS; a shape based screening protocol implemented in Openeye. The approach adopted has provided different scaffolds as HITS against CHICKV protease. Three scaffolds: Indole, Pyrazole and Sulphone derivatives were selected based on the docking score and synthetic feasibility. Derivatives of Pyrazole were synthesized and submitted for antiviral screening against CHICKV.

Keywords: Chikungunya, nsP2 protease, ADME filter, HTVS, Docking, Active site.

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Authors: MA. Ansari

Abstract:

In cancer progress, the optical properties of tissues like absorption and scattering coefficient change, so by these changes, we can trace the progress of cancer, even it can be applied for pre-detection of cancer. In this paper, we investigate the effects of changes of optical properties on light penetrated into tissues. The diffusion equation is widely used to simulate light propagation into biological tissues. In this study, the boundary integral method (BIM) is used to solve the diffusion equation. We illustrate that the changes of optical properties can modified the reflectance or penetrating light.

Keywords: Diffusion equation, boundary element method, refractive index

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Authors: Fengxia Zheng

Abstract:

By using two new fixed point theorems for mixed monotone operators, the positive solution of nonlinear fractional differential equation boundary value problem is studied. Its existence and uniqueness is proved, and an iterative scheme is constructed to approximate it.

Keywords: Fractional differential equation, boundary value problem, positive solution, existence and uniqueness, fixed point theorem, mixed monotone operator.

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Authors: R. Fatehi, M.A. Fayazbakhsh, M.T. Manzari

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Discretization of spatial derivatives is an important issue in meshfree methods especially when the derivative terms contain non-linear coefficients. In this paper, various methods used for discretization of second-order spatial derivatives are investigated in the context of Smoothed Particle Hydrodynamics. Three popular forms (i.e. "double summation", "second-order kernel derivation", and "difference scheme") are studied using one-dimensional unsteady heat conduction equation. To assess these schemes, transient response to a step function initial condition is considered. Due to parabolic nature of the heat equation, one can expect smooth and monotone solutions. It is shown, however in this paper, that regardless of the type of kernel function used and the size of smoothing radius, the double summation discretization form leads to non-physical oscillations which persist in the solution. Also, results show that when a second-order kernel derivative is used, a high-order kernel function shall be employed in such a way that the distance of inflection point from origin in the kernel function be less than the nearest particle distance. Otherwise, solutions may exhibit oscillations near discontinuities unlike the "difference scheme" which unconditionally produces monotone results.

Keywords: Heat conduction, Meshfree methods, Smoothed ParticleHydrodynamics (SPH), Second-order derivatives.

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Authors: Soon-Mo Jung

Abstract:

The functional equation f(3x) = 4f(3x-3)+f(3x- 6) will be solved and its Hyers-Ulam stability will be also investigated in the class of functions f : R → X, where X is a real Banach space.

Keywords: Functional equation, Lucas sequence of the first kind, Hyers-Ulam stability.

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Authors: Jatinderdeep Kaur

Abstract:

In this paper, the results of Kano from one dimensional cosine and sine series are extended to two dimensional cosine and sine series. To extend these results, some classes of coefficient sequences such as class of semi convexity and class R are extended from one dimension to two dimensions. Further, the function f(x, y) is two dimensional Fourier Cosine and Sine series or equivalently it represents an integrable function or not, has been studied. Moreover, some results are obtained which are generalization of Moricz’s results.

Keywords: Conjugate Dirichlet kernel, conjugate Fejer kernel, Fourier series, Semi-convexity.

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Authors: S. Zhuiykov, E. Kats

Abstract:

In recent times there has been a growing interest in the development of quasi-two-dimensional niobium pentoxide (Nb2O5) as a semiconductor for the potential electronic applications such as capacitors, filtration, dye-sensitised solar cells and gas sensing platforms. Therefore once the purpose is established, Nb2O5 can be prepared in a number of nano- and sub-micron-structural morphologies that include rods, wires, belts and tubes. In this study films of Nb2O5 were prepared on gold plated silicon substrate using spin-coating technique and subsequently by mechanical exfoliation. The reason this method was employed was to achieve layers of less than 15nm in thickness. The sintering temperature of the specimen was 800oC. The morphology and structural characteristics of the films were analyzed by Atomic Force Microscopy (AFM), Raman Spectroscopy, X-ray Photoelectron Spectroscopy (XPS).

Keywords: Mechanical exfoliation, niobium pentoxide, quazitwo- dimensional, semiconductor, sol-gel, spin-coating, two dimensional semiconductors.

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Authors: Imad Chaddad, Andrei A. Kolyshkin

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Linear and weakly nonlinear analysis of shallow wake flows is presented in the present paper. The evolution of the most unstable linear mode is described by the complex Ginzburg-Landau equation (CGLE). The coefficients of the CGLE are calculated numerically from the solution of the corresponding linear stability problem for a one-parametric family of shallow wake flows. It is shown that the coefficients of the CGLE are not so sensitive to the variation of the base flow profile.

Keywords: Ginzburg-Landau equation, shallow wake flow, weakly nonlinear theory.

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Authors: Gee-Cheol Kim, Joo-Won Kang

Abstract:

A theoretical study of the rigidities of slabs with circular voids oriented in the longitudinal and in the transverse direction is discussed. Equations are presented for predicting the bending and torsional rigidities of the voided slabs. This paper summarizes the results of an extensive literature search and initial review of the current methods of analyzing voided slab. The various methods of calculating the equivalent plate parameters, which are necessary for two-dimensional analysis, are also reviewed. Static deflections on voided slabs are shown to be in good agreement with proposed equation.

Keywords: voided slab, bending rigidity, torsional rigidity, orthotropic plate

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Authors: Jaipong Kasemsuwan

Abstract:

A numerical solution of the initial boundary value problem of the suspended string vibrating equation with the particular nonlinear damping term based on the finite difference scheme is presented in this paper. The investigation of how the second and third power terms of the nonlinear term affect the vibration characteristic. We compare the vibration amplitude as a result of the third power nonlinear damping with the second power obtained from previous report provided that the same initial shape and initial velocities are assumed. The comparison results show that the vibration amplitude is inversely proportional to the coefficient of the damping term for the third power nonlinear damping case, while the vibration amplitude is proportional to the coefficient of the damping term in the second power nonlinear damping case.

Keywords: Finite-difference method, the nonlinear damped equation, the numerical simulation, the suspended string equation

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Authors: Yiqin Lin, Wenbo Li

Abstract:

Dimensionality reduction and feature extraction are of crucial importance for achieving high efficiency in manipulating the high dimensional data. Two-dimensional discriminant locality preserving projection (2D-DLPP) and two-dimensional discriminant supervised LPP (2D-DSLPP) are two effective two-dimensional projection methods for dimensionality reduction and feature extraction of face image matrices. Since 2D-DLPP and 2D-DSLPP preserve the local structure information of the original data and exploit the discriminant information, they usually have good recognition performance. However, 2D-DLPP and 2D-DSLPP only employ single-sided projection, and thus the generated low dimensional data matrices have still many features. In this paper, by combining the discriminant supervised LPP with the bidirectional projection, we propose the bidirectional discriminant supervised LPP (BDSLPP). The left and right projection matrices for BDSLPP can be computed iteratively. Experimental results show that the proposed BDSLPP achieves higher recognition accuracy than 2D-DLPP, 2D-DSLPP, and bidirectional discriminant LPP (BDLPP).

Keywords: Face recognition, dimension reduction, locality preserving projection, discriminant information, bidirectional projection.

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Authors: Abhishek Soni, A. Kumaraswamy, M. S. Mahesh

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Bullet penetration in steel plate is investigated with the help of three-dimensional, non-linear, transient, dynamic, finite elements analysis using explicit time integration code LSDYNA. The effect of large strain, strain-rate and temperature at very high velocity regime was studied from number of simulations of semi-spherical nose shape bullet penetration through single layered circular plate with 2 mm thickness at impact velocities of 500, 1000, and 1500 m/s with the help of Johnson Cook material model. Mie-Gruneisen equation of state is used in conjunction with Johnson Cook material model to determine pressure-volume relationship at various points of interests. Two material models viz. Plastic-Kinematic and Johnson- Cook resulted in different deformation patterns in steel plate. It is observed from the simulation results that the velocity drop and loss of kinetic energy occurred very quickly up to perforation of plate, after that the change in velocity and changes in kinetic energy are negligibly small. The physics behind this kind of behaviour is presented in the paper.

Keywords: AISI 4340 steel, ballistic impact simulation, bullet penetration, non-linear FEM.

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Authors: M. Zamani, O. Kahar

Abstract:

Solution to unsteady Navier-Stokes equation by Splitting method in physical orthogonal algebraic curvilinear coordinate system, also termed 'Non-linear grid system' is presented. The linear terms in Navier-Stokes equation are solved by Crank- Nicholson method while the non-linear term is solved by the second order Adams-Bashforth method. This work is meant to bring together the advantage of Splitting method as pressure-velocity solver of higher efficiency with the advantage of consuming Non-linear grid system which produce more accurate results in relatively equal number of grid points as compared to Cartesian grid. The validation of Splitting method as a solution of Navier-Stokes equation in Nonlinear grid system is done by comparison with the benchmark results for lid driven cavity flow by Ghia and some case studies including Backward Facing Step Flow Problem.

Keywords: Navier-Stokes, 'Non-linear grid system', Splitting method.

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Authors: Nidal H. Abu-Zahra, Murtatha M. Jamel, Parisa Khoshnoud, Subhashini Gunashekar

Abstract:

Two types of glass fibers having different lengths (1/16" and 1/32") were added into rigid PVC foams to enhance the dimensional stability of extruded rigid Polyvinyl Chloride (PVC) foam at different concentrations (0-20 phr) using a single screw profile extruder. PVC foam-glass fiber composites (PVC-GF) were characterized for their dimensional stability, structural, thermal, and mechanical properties. Experimental results show that the dimensional stability, heat resistance, and storage modulus were enhanced without compromising the tensile and flexural strengths of the composites. Overall, foam composites which were prepared with longer glass fibers exhibit better mechanical and thermal properties than those prepared with shorter glass fibers due to higher interlocking between the fibers and the foam cells, which result in better load distribution in the matrix.

Keywords: Polyvinyl Chloride, PVC Foam, PVC Composites, Glass Fiber Composites.

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Authors: M. Ghalambaz, A.R. Noghrehabadi, M.A. Behrang, E. Assareh, A. Ghanbarzadeh, N.Hedayat

Abstract:

This study presents a hybrid neural network and Gravitational Search Algorithm (HNGSA) method to solve well known Wessinger's equation. To aim this purpose, gravitational search algorithm (GSA) technique is applied to train a multi-layer perceptron neural network, which is used as approximation solution of the Wessinger's equation. A trial solution of the differential equation is written as sum of two parts. The first part satisfies the initial/ boundary conditions and does not contain any adjustable parameters and the second part which is constructed so as not to affect the initial/boundary conditions. The second part involves adjustable parameters (the weights and biases) for a multi-layer perceptron neural network. In order to demonstrate the presented method, the obtained results of the proposed method are compared with some known numerical methods. The given results show that presented method can introduce a closer form to the analytic solution than other numerical methods. Present method can be easily extended to solve a wide range of problems.

Keywords: Neural Networks, Gravitational Search Algorithm (GSR), Wessinger's Equation.

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Authors: József Valyon, Gábor Horváth

Abstract:

In comparison to the original SVM, which involves a quadratic programming task; LS–SVM simplifies the required computation, but unfortunately the sparseness of standard SVM is lost. Another problem is that LS-SVM is only optimal if the training samples are corrupted by Gaussian noise. In Least Squares SVM (LS–SVM), the nonlinear solution is obtained, by first mapping the input vector to a high dimensional kernel space in a nonlinear fashion, where the solution is calculated from a linear equation set. In this paper a geometric view of the kernel space is introduced, which enables us to develop a new formulation to achieve a sparse and robust estimate.

Keywords: Support Vector Machines, Least Squares SupportVector Machines, Regression, Sparse approximation.

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Authors: B. B. M. Moasheri, S. Azadinia

Abstract:

Wavelets have provided the researchers with significant positive results, by entering the texture defect detection domain. The weak point of wavelets is that they are one-dimensional by nature so they are not efficient enough to describe and analyze two-dimensional functions. In this paper we present a new method to detect the defect of texture images by using curvelet transform. Simulation results of the proposed method on a set of standard texture images confirm its correctness. Comparing the obtained results indicates the ability of curvelet transform in describing discontinuity in two-dimensional functions compared to wavelet transform

Keywords: Curvelet, Defect detection, Wavelet.

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Authors: Alibek Issakhov

Abstract:

In this paper presents the mathematical model of hydrothermal processes in thermal power plant with different wind direction scenarios in the water reservoir, which is solved by the Navier - Stokes and temperature equations for an incompressible fluid in a stratified medium. Numerical algorithm based on the method of splitting by physical parameters. Three dimensional Poisson equation is solved with Fourier method by combination of tridiagonal matrix method (Thomas algorithm).

Keywords: thermal power plant, hydrothermal process, large eddy simulation, water reservoir

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Authors: Nguyen Thu Huong, Nguyen Quang Bau

Abstract:

The Hall Coefficient (HC) and the Magnetoresistance (MR) have been studied in two-dimensional systems. The HC and the MR in Rectangular Quantum Wire (RQW) subjected to a crossed DC electric field and magnetic field in the presence of a Strong Electromagnetic Wave (EMW) characterized by electric field are studied in this work. Using the quantum kinetic equation for electrons interacting with optical phonons, we obtain the analytic expressions for the HC and the MR with a dependence on magnetic field, EMW frequency, temperatures of systems and the length characteristic parameters of RQW. These expressions are different from those obtained for bulk semiconductors and cylindrical quantum wires. The analytical results are applied to GaAs/GaAs/Al. For this material, MR depends on the ratio of the EMW frequency to the cyclotron frequency. Indeed, MR reaches a minimum at the ratio 5/4, and when this ratio increases, it tends towards a saturation value. The HC can take negative or positive values. Each curve has one maximum and one minimum. When magnetic field increases, the HC is negative, achieves a minimum value and then increases suddenly to a maximum with a positive value. This phenomenon differs from the one observed in cylindrical quantum wire, which does not have maximum and minimum values.

Keywords: Hall coefficient, rectangular quantum wires, electron-optical phonon interaction, quantum kinetic equation.

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Authors: M. Zarebnia, R. Parvaz

Abstract:

In this paper the Kuramoto-Sivashinsky equation is solved numerically by collocation method. The solution is approximated as a linear combination of septic B-spline functions. Applying the Von-Neumann stability analysis technique, we show that the method is unconditionally stable. The method is applied on some test examples, and the numerical results have been compared with the exact solutions. The global relative error and L∞ in the solutions show the efficiency of the method computationally.

Keywords: Kuramoto-Sivashinsky equation, Septic B-spline, Collocation method, Finite difference.

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Authors: C. Ardil

Abstract:

This study uses two-dimensional standard fuzzy sets to enhance multiple criteria decision-making analysis for passenger aircraft selection, allowing decision-makers to express judgments with uncertain and vague information. Using two-dimensional fuzzy numbers, three decision makers evaluated three aircraft alternatives according to seven decision criteria. A validity analysis based on two-dimensional standard fuzzy weighted geometric (SFWG) and two-dimensional standard fuzzy weighted average (SFGA) operators is conducted to test the proposed approach's robustness and effectiveness in the fuzzy multiple criteria decision making (MCDM) evaluation process. 

Keywords: Standard fuzzy sets (SFSs), aircraft selection, multiple criteria decision making, intuitionistic fuzzy sets (IFSs), SFWG, SFGA, MCDM

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Authors: Pushpa N. Rathie, Prabhata K. Swamee, André L. B. Cavalcante, Luan Carlos de S. M. Ozelim

Abstract:

Implicit equations play a crucial role in Engineering. Based on this importance, several techniques have been applied to solve this particular class of equations. When it comes to practical applications, in general, iterative procedures are taken into account. On the other hand, with the improvement of computers, other numerical methods have been developed to provide a more straightforward methodology of solution. Analytical exact approaches seem to have been continuously neglected due to the difficulty inherent in their application; notwithstanding, they are indispensable to validate numerical routines. Lagrange-s Inversion Theorem is a simple mathematical tool which has proved to be widely applicable to engineering problems. In short, it provides the solution to implicit equations by means of an infinite series. To show the validity of this method, the tree-parameter infiltration equation is, for the first time, analytically and exactly solved. After manipulating these series, closed-form solutions are presented as H-functions.

Keywords: Green-Ampt Equation, Lagrange's Inversion Theorem, Talsma-Parlange Equation, Three-Parameter Infiltration Equation

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Authors: Chiharu Okuma, Jun Murakami, Naoki Yamamoto

Abstract:

In digital signal processing it is important to approximate multi-dimensional data by the method called rank reduction, in which we reduce the rank of multi-dimensional data from higher to lower. For 2-dimennsional data, singular value decomposition (SVD) is one of the most known rank reduction techniques. Additional, outer product expansion expanded from SVD was proposed and implemented for multi-dimensional data, which has been widely applied to image processing and pattern recognition. However, the multi-dimensional outer product expansion has behavior of great computation complex and has not orthogonally between the expansion terms. Therefore we have proposed an alterative method, Third-order Orthogonal Tensor Product Expansion short for 3-OTPE. 3-OTPE uses the power method instead of nonlinear optimization method for decreasing at computing time. At the same time the group of B. D. Lathauwer proposed Higher-Order SVD (HOSVD) that is also developed with SVD extensions for multi-dimensional data. 3-OTPE and HOSVD are similarly on the rank reduction of multi-dimensional data. Using these two methods we can obtain computation results respectively, some ones are the same while some ones are slight different. In this paper, we compare 3-OTPE to HOSVD in accuracy of calculation and computing time of resolution, and clarify the difference between these two methods.

Keywords: Singular value decomposition (SVD), higher-order SVD (HOSVD), higher-order tensor, outer product expansion, power method.

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Authors: Fengxia Zheng, Chuanyun Gu

Abstract:

By using a fixed point theorem of a sum operator, the existence and uniqueness of positive solution for a class of boundary value problem of nonlinear fractional differential equation is studied. An iterative scheme is constructed to approximate it. Finally, an example is given to illustrate the main result.

Keywords: Fractional differential equation, Boundary value problem, Positive solution, Existence and uniqueness, Fixed point theorem of a sum operator.

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Authors: Khosrow Maleknejad, Reza Mollapourasl, Parvin Torabi, Mahdiyeh Alizadeh,

Abstract:

Sinc-collocation scheme is one of the new techniques used in solving numerical problems involving integral equations. This method has been shown to be a powerful numerical tool for finding fast and accurate solutions. So, in this paper, some properties of the Sinc-collocation method required for our subsequent development are given and are utilized to reduce integral equation of the first kind to some algebraic equations. Then convergence with exponential rate is proved by a theorem to guarantee applicability of numerical technique. Finally, numerical examples are included to demonstrate the validity and applicability of the technique.

Keywords: Integral equation, Fredholm type, Collocation method, Sinc approximation.

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Authors: Swarniv Chandra, Sibarjun Das, Agniv Chandra, Basudev Ghosh, Apratim Jash

Abstract:

Using the quantum hydrodynamic (QHD) model the nonlinear properties of ion-acoustic waves in are lativistically degenerate quantum plasma is investigated by deriving a nonlinear Spherical Kadomtsev–Petviashvili (SKP) equation using the standard reductive perturbation method equation. It was found that the electron degeneracy parameter significantly affects the linear and nonlinear properties of ion-acoustic waves in quantum plasma.

Keywords: Kadomtsev-Petviashvili equation, Ion-acoustic Waves, Relativistic Degeneracy, Quantum Plasma, Quantum Hydrodynamic Model.

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Authors: Changqing Yang, Jianhua Hou, Beibo Qin

Abstract:

A numerical method for Riccati equation is presented in this work. The method is based on the replacement of unknown functions through a truncated series of hybrid of block-pulse functions and Chebyshev polynomials. The operational matrices of derivative and product of hybrid functions are presented. These matrices together with the tau method are then utilized to transform the differential equation into a system of algebraic equations. Corresponding numerical examples are presented to demonstrate the accuracy of the proposed method.

Keywords: Hybrid functions, Riccati differential equation, Blockpulse, Chebyshev polynomials, Tau method, operational matrix.

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Authors: H. N. Agiza, M. A. Sohaly, M. A. Elfouly

Abstract:

Parkinson's disease (PD) is a heterogeneous disorder with common age of onset, symptoms, and progression levels. In this paper we will solve analytically the PD model as a non-linear delay differential equation using the steps method. The step method transforms a system of delay differential equations (DDEs) into systems of ordinary differential equations (ODEs). On some numerical examples, the analytical solution will be difficult. So we will approximate the analytical solution using Picard method and Taylor method to ODEs.

Keywords: Parkinson's disease, Step method, delay differential equation, simulation.

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Authors: Meng Hu, Lili Wang

Abstract:

This paper deals with a nonlinear fractional differential equation with integral boundary condition of the following form:  Dαt x(t) = f(t, x(t),Dβ t x(t)), t ∈ (0, 1), x(0) = 0, x(1) = 1 0 g(s)x(s)ds, where 1 < α ≤ 2, 0 < β < 1. Our results are based on the Schauder fixed point theorem and the Banach contraction principle.

Keywords: Fractional differential equation, Integral boundary condition, Schauder fixed point theorem, Banach contraction principle.

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Authors: Carlo Bellettini, Alessandro Marchetto, Andrea Trentini

Abstract:

Web applications have become very complex and crucial, especially when combined with areas such as CRM (Customer Relationship Management) and BPR (Business Process Reengineering), the scientific community has focused attention to Web applications design, development, analysis, and testing, by studying and proposing methodologies and tools. This paper proposes an approach to automatic multi-dimensional concern mining for Web Applications, based on concepts analysis, impact analysis, and token-based concern identification. This approach lets the user to analyse and traverse Web software relevant to a particular concern (concept, goal, purpose, etc.) via multi-dimensional separation of concerns, to document, understand and test Web applications. This technique was developed in the context of WAAT (Web Applications Analysis and Testing) project. A semi-automatic tool to support this technique is currently under development.

Keywords: Concepts Analysis, Concerns Mining, Multi-Dimensional Separation of Concerns, Impact Analysis.

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