Search results for: nonlinear scattering

Authors: S. Cherif, A. Medjahed, M. Bouafia, A. Manallah

Abstract:

A light wave is characterized by 4 characteristics: its amplitude, its frequency, its phase and the direction of polarization of its luminous vector (the electric field). It is in this last characteristic that we will be interested. The polarization of the light was introduced in order to describe the vectorial behavior of the light; it describes the way in which the electric field evolves in a point of space. Our work consists in studying diffusing mediums. Different types of biological fluids were selected to study the evolution of each with increasing scattering power of the medium, and in the same time to make a comparison between them. When crossing these mediums, the light undergoes modifications and/or deterioration of its initial state of polarization. This phenomenon is related to the properties of the medium, the idea is to compare the characteristics of the entering and outgoing light from the studied medium by a white light. The advantage of this model is that it is experimentally accessible workable intensity measurements with CCD sensors and allows operation in 2D. The latter information is used to discriminate some physical properties of the studied areas. We chose four types of milk to study the evolution of each with increasing scattering power of the medium.

Keywords: light polarization, Mueller matrix, Mueller images, diffusing medium, milk

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Authors: Fernando P. Silva, Valter J. S. Leite, Erivelton G. Nepomuceno

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In this paper, a nonlinear controller design for an omnidirectional mobile is presented. The robot controller consists of an inner-loop controller and an outer-loop controller, the first is designed using state feedback (robust allocation) and the second controller is designed based on Robust Multi Inversion (RMI) approach. The objective of RMI controller is rendering the robust inversion of the dynamic, when the model is affected by uncertainties. A model nonlinear MIMO of an omni-directional robot (small-league of Robocup) is used to simulate the RMI approach. The parameters of linear and nonlinear model are varied to cause modelling uncertainties among the model and the real model (real system) generating an error in inner-loop controller signal that must be compensated by RMI controller. The simulation test results show that the RMI is capable of compensating the uncertainties and keep the system stable and controlled under uncertainties.

Keywords: robust multi inversion, omni-directional robot, robocup, nonlinear control

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Authors: Mezghiche Kamel

Abstract:

We present solitary wave solutions for the perturbed nonlinear Schrodinger (PNLS) equation describing propagation of femtosecond light pulses through the fiber Bragg grating structure where the pulse dynamics is governed by the nonlinear-coupled mode (NLCM) equations. Using the multiple scale analysis, we reduce the NLCM equations into the perturbed nonlinear Schrodinger (PNLS) type equation. Unlike the reported solitary wave solutions of the PNLS equation, the novel ones can describe W shaped of solitons and their properties.

Keywords: fiber bragg grating, nonlinear-coupled mode equations, w shaped of solitons, PNLS

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Authors: R. Ghasemi, M. R. Rahimi Khoygani

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This paper proposes the designing direct adaptive neural controller to apply for a class of a nonlinear pendulum dynamic system. The radial basis function (RBF) neural adaptive controller is robust in presence of external and internal uncertainties. Both the effectiveness of the controller and robustness against disturbances are importance of this paper. The simulation results show the promising performance of the proposed controller.

Keywords: adaptive neural controller, nonlinear dynamical, neural network, RBF, driven pendulum, position control

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Authors: Diala Bitar, Emmanuel Gourdon, Claude H. Lamarque, Manuel Collet

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Acoustic absorber devices play an important role reducing the noise at the propagation and reception paths. An electroacoustic absorber consists of a loudspeaker coupled to an electric shunt circuit, where the membrane is playing the role of an absorber/reflector of sound. Although the use of linear shunt resistors at the transducer terminals, has shown to improve the performances of the dynamical absorbers, it is nearly efficient in a narrow frequency band. Therefore, and since nonlinear phenomena are promising for their ability to absorb the vibrations and sound on a larger frequency range, we propose to couple a nonlinear electric shunt circuit at the loudspeaker terminals. Then, the equivalent model can be described by a 2 degrees of freedom system, consisting of a primary linear oscillator describing the dynamics of the loudspeaker membrane, linearly coupled to a cubic nonlinear energy sink (NES). The system is analytically treated for the case of 1:1 resonance, using an invariant manifold approach at different time scales. The proposed methodology enables us to detect the equilibrium points and fold singularities at the first slow time scales, providing a predictive tool to design the nonlinear circuit shunt during the energy exchange process. The preliminary results are promising; a significant improvement of acoustic absorption performances are obtained.

Keywords: electroacoustic absorber, multiple-time-scale with small finite parameter, nonlinear energy sink, nonlinear passive shunt

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Authors: A. Zerarka, W. Djoudi

Abstract:

The method developed in this work uses a generalised coth and csch funtions method to construct new exact travelling solutions to the nonlinear lattice equation. The technique of the homogeneous balance method is used to handle the appropriated solutions.

Keywords: coth functions, csch functions, nonlinear partial differential equation, travelling wave solutions

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Authors: Ashwani Kumar Aggarwal

Abstract:

NIR Light is non-ionizing and can pass easily through living tissues such as breast without any harmful effects. Therefore, use of NIR light for imaging the biological tissue and to quantify its optical properties is a good choice over other invasive methods. Optical tomography involves two steps. One is the forward problem and the other is the reconstruction problem. The forward problem consists of finding the measurements of transmitted light through the tissue from source to detector, given the spatial distribution of absorption and scattering properties. The second step is the reconstruction problem. In X-ray tomography, there is standard method for reconstruction called filtered back projection method or the algebraic reconstruction methods. But this method cannot be applied as such, in optical tomography due to highly scattering nature of biological tissue. A hybrid algorithm for reconstruction has been implemented in this work which takes into account the highly scattered path taken by photons while back projecting the forward data obtained during Monte Carlo simulation. The reconstructed image suffers from blurring due to point spread function. This blurred reconstructed image has been enhanced using a digital filter which is optimal in mean square sense.

Keywords: least-squares optimization, filtering, tomography, laser interaction, light scattering

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Authors: M. Y. Waziri, M. A. Aliyu

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The paper proposes an approach to improve the performance of Broyden’s method for solving systems of nonlinear equations. In this work, we consider the information from two preceding iterates rather than a single preceding iterate to update the Broyden’s matrix that will produce a better approximation of the Jacobian matrix in each iteration. The numerical results verify that the proposed method has clearly enhanced the numerical performance of Broyden’s Method.

Keywords: mulit-step Broyden, nonlinear systems of equations, computational efficiency, iterate

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Authors: I. Khabbazi, R. Ghasemi

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This paper presents a combination of both robust nonlinear controller and nonlinear controller for a class of nonlinear 4Y Octorotor UAV using Back-stepping and sliding mode controller. The robustness against internal and external disturbance and decoupling control are the merits of the proposed paper. The proposed controller decouples the Octorotor dynamical system. The controller is then applied to a 4Y Octorotor UAV and its feature will be shown.

Keywords: sliding mode, backstepping, decoupling, octorotor UAV

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Authors: Tsun-Hui Huang, Shyue-Cheng Yang, Chiou-Fen Shieha

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In this paper, a nonlinear constitutive law and a curve fitting, two relationships between the stress-strain and the shear stress-strain for sandstone material were used to obtain a second-order polynomial constitutive equation. Based on the established polynomial constitutive equations and Newton’s second law, a mathematical model of the non-homogeneous nonlinear wave equation under an external pressure was derived. The external pressure can be assumed as an impulse function to simulate a real earthquake source. A displacement response under nonlinear two-dimensional wave equation was determined by a numerical method and computer-aided software. The results show that a suit pressure in the sandstone generates the phenomenon of stress solitary waves.

Keywords: polynomial constitutive equation, solitary, stress solitary waves, nonlinear constitutive law

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Authors: Ekaterina A. Savchenko, Elena N. Velichko, Evgenii T. Aksenov

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The development of pathological processes, such as cardiovascular and oncological diseases, are accompanied by changes in molecular parameters in cells, tissues, and serum. The study of the behavior of protein molecules in solutions is of primarily importance for diagnosis of such diseases. Various physical and chemical methods are used to study molecular systems. With the advent of the laser and advances in electronics, optical methods, such as scanning electron microscopy, sedimentation analysis, nephelometry, static and dynamic light scattering, have become the most universal, informative and accurate tools for estimating the parameters of nanoscale objects. The electrophoretic light scattering is the most effective technique. It has a high potential in the study of biological solutions and their properties. This technique allows one to investigate the processes of aggregation and dissociation of different macromolecules and obtain information on their shapes, sizes and molecular weights. Electrophoretic light scattering is an analytical method for registration of the motion of microscopic particles under the influence of an electric field by means of quasi-elastic light scattering in a homogeneous solution with a subsequent registration of the spectral or correlation characteristics of the light scattered from a moving object. We modified the technique by using the regime of total internal reflection with the aim of increasing its sensitivity and reducing the volume of the sample to be investigated, which opens the prospects of automating simultaneous multiparameter measurements. In addition, the method of total internal reflection allows one to study biological fluids on the level of single molecules, which also makes it possible to increase the sensitivity and the informativeness of the results because the data obtained from an individual molecule is not averaged over an ensemble, which is important in the study of bimolecular fluids. To our best knowledge the study of electrophoretic light scattering in the regime of total internal reflection is proposed for the first time, latex microspheres 1 μm in size were used as test objects. In this study, the total internal reflection regime was realized on a quartz prism where the free electrophoresis regime was set. A semiconductor laser with a wavelength of 655 nm was used as a radiation source, and the light scattering signal was registered by a pin-diode. Then the signal from a photodetector was transmitted to a digital oscilloscope and to a computer. The autocorrelation functions and the fast Fourier transform in the regime of Brownian motion and under the action of the field were calculated to obtain the parameters of the object investigated. The main result of the study was the dependence of the autocorrelation function on the concentration of microspheres and the applied field magnitude. The effect of heating became more pronounced with increasing sample concentrations and electric field. The results obtained in our study demonstrated the applicability of the method for the examination of liquid solutions, including biological fluids.

Keywords: light scattering, electrophoretic light scattering, electrophoresis, total internal reflection

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Authors: Kanica Goel, Nilam

Abstract:

Infectious diseases are a leading cause of death worldwide and hence a great challenge for every nation. Thus, it becomes utmost essential to prevent and reduce the spread of infectious disease among humans. Mathematical models help to better understand the transmission dynamics and spread of infections. For this purpose, in the present article, we have proposed a nonlinear time-delayed SVIRS (Susceptible-Vaccinated-Infected-Recovered-Susceptible) mathematical model with nonlinear type incidence rate and nonlinear type treatment rate. Analytical study of the model shows that model exhibits two types of equilibrium points, namely, disease-free equilibrium and endemic equilibrium. Further, for the long-term behavior of the model, stability of the model is discussed with the help of basic reproduction number R₀ and we showed that disease-free equilibrium is locally asymptotically stable if the basic reproduction number R₀ is less than one and unstable if the basic reproduction number R₀ is greater than one for the time lag τ≥0. Furthermore, when basic reproduction number R₀ is one, using center manifold theory and Casillo-Chavez and Song theorem, we showed that the model undergoes transcritical bifurcation. Moreover, numerical simulations are being carried out using MATLAB 2012b to illustrate the theoretical results.

Keywords: nonlinear incidence rate, nonlinear treatment rate, stability, time delayed SVIRS epidemic model

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Authors: Mohammadsadegh Zanganehfar

Abstract:

Since the modernism, movement, and appearance of modern architecture, an aggressive desire for a general design theory in the theoretical works of architects in the form of books and essays emerges. Since Robert Venturi and Denise Scott Brown’s published complexity and contradiction in architecture in 1966, the discourse of complexity and volumetric composition has been an important and controversial issue in the discipline. Ever since various theories and essays were involved in this discourse, this paper attempt to identify chaos theory as a scientific model of complexity and its relation to architecture design theory by conducting a qualitative analysis and multidisciplinary critical approach through architecture and basic sciences resources. As a result, we identify chaotic architecture as the correlation of chaos theory and architecture as an independent nonlinear design theory with specific characteristics and properties.

Keywords: architecture complexity, chaos theory, fractals, nonlinear dynamic systems, nonlinear ontology

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Authors: Mubashir Hussain, Mu Lv, Xiaohan Dong, Zhiyang Li, Bin Liu, Nongyue He

Abstract:

Detection and classification of microbes have a vast range of applications in biomedical engineering especially in detection, characterization, and quantification of bacterial contaminants. For identification of pathogens, different techniques are emerging in the field of biomedical engineering. Latest technology uses light scattering, capable of identifying different pathogens without any need for biochemical processing. Bacterial Pathogens Identification System (BPIS) which uses a laser beam, passes through the sample and light scatters off. An assembly of photodetectors surrounded by the sample at different angles to detect the scattering of light. The algorithm of the system consists of two parts: (a) Library files, and (b) Comparator. Library files contain data of known species of bacterial microbes in the form of binned plots, while comparator compares data of unknown sample with library files. Using collected data of unknown bacterial species, highest voltage values stored in the form of peaks and arranged in 3D histograms to find the frequency of occurrence. Resulting data compared with library files of known bacterial species. If sample data matching with any library file of known bacterial species, sample identified as a matched microbe. An experiment performed to identify three different bacteria particles: Enterococcus faecalis, Pseudomonas aeruginosa, and Escherichia coli. By applying algorithm using library files of given samples, results were compromising. This system is potentially applicable to several biomedical areas, especially those related to cell morphology.

Keywords: microbial identification, laser scattering, peak identification, binned plots classification

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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, plasmonic waveguide, chalcogenide, propagation equation

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Authors: Ebrahim Hassan Kapeel, Ahmed Mohsen Kamel, Hossan Hendy, Yehia Z. Elhalwagy

Abstract:

Interest in autopilot design has been raised intensely as a result of recent advancements in Unmanned Aerial vehicles (UAVs). Due to the enormous number of applications that UAVs can achieve, the number of applied control theories used for them has increased in recent years. These small fixed-wing UAVs are suffering high non-linearity, sensitivity to disturbances, and coupling effects between their channels. In this work, the nonlinear dynamic inversion (NDI) control lawisdesigned for a nonlinear small fixed-wing UAV model. The NDI is preferable for varied operating conditions, there is no need for a scheduling controller. Moreover, it’s applicable for high angles of attack. For the designed flight controller validation, a nonlinear Modified PI-D controller is performed with our model. A comparative study between both controllers is achieved to evaluate the NDI performance. Simulation results and analysis are proposed to illustrate the effectiveness of the designed controller based on NDI.

Keywords: UAV dynamic model, attitude control, nonlinear PID, dynamic inversion

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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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Authors: Majid Pourahmadi

Abstract:

The performance of time-reversal MUSIC algorithm will be dramatically degrades in presence of strong noise and multiple scattering (i.e. when scatterers are close to each other). This is due to error in determining the number of scatterers. The present paper provides a new approach to alleviate such a problem using an information theoretic criterion referred as minimum description length (MDL). The merits of the novel approach are confirmed by the numerical examples. The results indicate the time-reversal MUSIC yields accurate estimate of the target locations with considerable noise and multiple scattering in the received signals.

Keywords: microwave imaging, time reversal, MUSIC algorithm, minimum description length (MDL)

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Authors: Muhammad Afzal, Junaid Uzair Satti

Abstract:

The noise emanating from the ducting of heating, ventilation, and air-conditioning (HVAC) system is often attenuated by using the dissipative silencers. Such devices work well for the high-frequency noise but are less operative in the low-frequency noise range. The present study analyzes a reactive silencer comprising expansion chamber of the elastic membranes partitioned symmetrically by a rigid plate. The Mode-Matching scheme has been developed to solve the governing boundary value problem. The orthogonal and non-orthogonal duct modes of acoustic pressures and normal velocities are matched at interfaces. It enables to recast the differential system into the infinite system of linear algebraic of equations, which is, then truncated and inverted for the solution. The truncated solution is validated through the conservation of energy and reconstruction of matching conditions. The results for scattering energy flux and transmission loss are shown against frequency and the dimensions of the chamber. It is seen that the stop-band of the silencer can be shifted to the broadband by changing the dimensions of the chamber and the properties of the elastic membranes. The modeled reactive silencer is more efficient in low frequency regime where the passive devices are least effective.

Keywords: acoustic scattering, elastic membranes mode-matching, reactive silencer

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Authors: Ali Raheli, Rahim Habibifar, Behzad Mohammadi-Alasti, Mahdi Abbasgholipour

Abstract:

This paper presents vibration behavior of a FGM micro-beam and its pull-in instability under a nonlinear electrostatic pressure. An exponential function has been applied to show the continuous gradation of the properties along thickness. Nonlinear integro-differential-electro-mechanical equation based on Euler–Bernoulli beam theory has been derived. The governing equation in the static analysis has been solved using Step-by-Step Linearization Method and Finite Difference Method. Fixed points or equilibrium positions and singular points have been shown in the state control space. In order to find the response to a step DC voltage, the nonlinear equation of motion has been solved using Galerkin-based reduced-order model and time histories and phase portrait for different applied voltages have been shown. The effects of electrostatic pressure on stability of FGM micro-beams having various amounts of the ceramic constituent have been investigated.

Keywords: FGM, MEMS, nonlinear vibration, electrical, dynamic pull-in voltage

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Authors: Ebrahim H. Kapeel, Ahmed M. Kamel, Hossam Hendy, Yehia Z. Elhalwagy

Abstract:

Interest in autopilot design has been raised intensely as a result of recent advancements in Unmanned Aerial vehicles (UAVs). Due to the enormous number of applications that UAVs can achieve, the number of applied control theories used for them has increased in recent years. These small fixed-wing UAVs are suffering high non-linearity, sensitivity to disturbances, and coupling effects between their channels. In this work, the nonlinear dynamic inversion (NDI) control law is designed for a nonlinear small fixed-wing UAV model. The NDI is preferable for varied operating conditions, there is no need for a scheduling controller. Moreover, it’s applicable for high angles of attack. For the designed flight controller validation, a nonlinear Modified PI-D controller is performed with our model. A comparative study between both controllers is achieved to evaluate the NDI performance. Simulation results and analysis are proposed to illustrate the effectiveness of the designed controller based on NDI.

Keywords: attitude control, nonlinear PID, dynamic inversion

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Authors: Sandeep Singh

Abstract:

In this article, two classes of iterative schemes are proposed for approximating solutions of nonlinear systems of equations whose orders of convergence are six and eight respectively. Sixth order scheme requires the evaluation of two vector-functions, two first Fr'echet derivatives and three matrices inversion per iteration. This three-step sixth-order method is further extended to eighth-order method which requires one more step and the evaluation of one extra vector-function. Moreover, computational efficiency is compared with some other recently published methods in which we found, our methods are more efficient than existing numerical methods for higher and medium size nonlinear system of equations. Numerical tests are performed to validate the proposed schemes.

Keywords: Nonlinear systems, Computational complexity, order of convergence, Jarratt-type scheme

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Authors: Meraj Ali Khan, Falleh R. Al-Solamy

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In the present paper, second order duality for multiobjective nonlinear programming are investigated under the second order generalized (F, b, φ, ρ, θ)− univex functions. The weak, strong and converse duality theorems are proved. Further, we also illustrated an example of (F, b, φ, ρ, θ)− univex functions. Results obtained in this paper extend some previously known results of multiobjective nonlinear programming in the literature.

Keywords: duality, multiobjective programming, univex functions, univex

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Authors: Sarun Phibanchon, Yuttakarn Rattanachai

Abstract:

The quadratic-cubic nonlinear Schrodinger equation can be explained the weakly ion-acoustic waves in magnetized plasma with a slightly non-Maxwellian electron distribution by using the Madelung's fluid picture. However, the soliton solution to the quadratic-cubic nonlinear Schrodinger equation is determined by using the direct integration. By the characteristics of a soliton, the solution can be claimed that it's a soliton by considering its time evolution and their collisions between two solutions. These results are shown by applying the spectral method.

Keywords: soliton, ion-acoustic waves, plasma, spectral method

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Authors: A. Zerarka, W. Djoudi

Abstract:

We use some fractional transformations to obtain many types of new exact solutions of nonlinear lattice equation. These solutions include rational solutions, periodic wave solutions, and doubly periodic wave solutions.

Keywords: fractional transformations, nonlinear equation, travelling wave solutions, lattice equation

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Authors: Hendradi Hardhienata, Tony Sumaryada, Sri Setyaningsih

Abstract:

Current progress in the field of nonlinear optics has enabled precise surface characterization in semiconductor materials. Nonlinear optical techniques are favorable due to their nondestructive measurement and ability to work in nonvacuum and ambient conditions. The advance of the bond hyperpolarizability models opens a wide range of nanoscale surface investigation including the possibility to detect molecular orientation at the surface of silicon and zincblende semiconductors, investigation of electric field induced second harmonic fields at the semiconductor interface, detection of surface impurities, and very recently, study surface defects such as twin boundary in wurtzite semiconductors. In this work, we show using nonlinear optical techniques, e.g. nonlinear bond models how arbitrary polarization of the incoming electric field in Rotational Anisotropy Spectroscopy experiments can provide more information regarding the origin of the nonlinear sources in zincblende and wurtzite semiconductor structure. In addition, using hyperpolarizability consideration, we describe how the nonlinear susceptibility tensor describing SHG can be well modelled using only few parameter because of the symmetry of the bonds. We also show how the third harmonic intensity feature shows considerable changes when the incoming field polarization angle is changed from s-polarized to p-polarized. We also propose a method how to investigate surface reconstruction and defects in wurtzite and zincblende structure at the nanoscale level.

Keywords: surface characterization, bond model, rotational anisotropy spectroscopy, effective hyperpolarizability

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Authors: Shahrokh Barati

Abstract:

In this paper, we introduced AIDS disease at first, then proposed dynamic model illustrate its progress, after expression of a short history of nonlinear modeling by polynomial phasing systems, we considered the stability conditions of the systems, which contained a huge amount of researches in order to modeling and control of AIDS in dynamic nonlinear form, in this approach using a frame work of control any polynomial phasing modeling system which have been generalized by part of phasing model of T-S, in order to control the system in better way, the stability conditions were achieved based on polynomial functions, then we focused to design the appropriate controller, firstly we considered the equilibrium points of system and their conditions and in order to examine changes in the parameters, we presented polynomial phase model that was the generalized approach rather than previous Takagi Sugeno models, then with using case we evaluated the equations in both open loop and close loop and with helping the controlling feedback, the close loop equations of system were calculated, to simulate nonlinear model of AIDS disease, we used polynomial phasing controller output that was capable to make the parameters of a nonlinear system to follow a sustainable reference model properly.

Keywords: polynomial fuzzy, AIDS, nonlinear AIDS model, fuzzy control systems

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Authors: A. Brouri, F. Giri, A. Mkhida, A. Elkarkri, M. L. Chhibat

Abstract:

Standard Hammerstein-Wiener models consist of a linear subsystem sandwiched by two memoryless nonlinearities. Presently, the linear subsystem is allowed to be parametric or not, continuous- or discrete-time. The input and output nonlinearities are polynomial and may be noninvertible. A two-stage identification method is developed such the parameters of all nonlinear elements are estimated first using the Kozen-Landau polynomial decomposition algorithm. The obtained estimates are then based upon in the identification of the linear subsystem, making use of suitable pre-ad post-compensators.

Keywords: nonlinear system identification, Hammerstein-Wiener systems, frequency identification, polynomial decomposition

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Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

Abstract:

Available experimental angular distributions for ⁶Li elastically scattered from ¹⁶O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor N_R for ⁶Li+¹⁶O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: elastic scattering, optical model, folding potential, density distribution

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