Density Functional Theory (DFT) method of the type (B3LYP) and a Gaussian basis set (6-311G) were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) at the equilibrium geometry of the Di and Tetra-rings layer (6, 0) zigzag single wall carbon nanotubes (SWCNTs) by using Gaussian-09 program. Both were found to have the same symmetry of D6d point group with C--C bond alternation in all tube rings (for axial bonds, which are the vertical C--Ca bonds in rings layer and for circumferential bonds C—Cc in the outer and mid rings bonds). Assignments of the modes of vibration IR active and inactive vibration frequencies (symmetric and asymmetric modes) based on the image modes applied by the Gaussian 09 display. The whole relations for the vibration modes were also done including nCH stretching, nC--C stretching, δCH, δring (δC--C--C) deformation in plane of the molecule) and gCH, gring (gC--C--C) deformation out of plane of the molecule. The assignment also included modes of puckering, breathing and clock-anticlockwise bending vibrations.
The paper establishes explicit representations of the errors and residuals of approximate
solutions of triangular linear systems by Jordan elimination and of general linear algebraic
systems by Gauss-Jordan elimination as functions of the data perturbations and the rounding
errors in arithmetic floating-point operations. From these representations strict optimal
componentwise error and residual bounds are derived. Further, stability estimates for the
solutions are discussed. The error bounds for the solutions of triangular linear systems are
compared to the optimal error bounds for the solutions by back substitution and by Gaussian
elimination with back substitution, respectively. The results confirm in a very
The aerodynamic characteristics of general three-dimensional rectangular wings are considered using non-linear interaction between two-dimensional viscous-inviscid panel method and vortex ring method. The potential flow of a two-dimensional airfoil by the pioneering Hess & Smith method was used with viscous laminar, transition and turbulent boundary layer to solve flow about complex configuration of airfoils including stalling effect. Viterna method was used to extend the aerodynamic characteristics of the specified airfoil to high angles of attacks. A modified vortex ring method was used to find the circulation values along span wise direction of the wing and then interacted with sectional circulation obtained by Kutta-Joukowsky theorem of
... Show MoreThis paper studies a novel technique based on the use of two effective methods like modified Laplace- variational method (MLVIM) and a new Variational method (MVIM)to solve PDEs with variable coefficients. The current modification for the (MLVIM) is based on coupling of the Variational method (VIM) and Laplace- method (LT). In our proposal there is no need to calculate Lagrange multiplier. We applied Laplace method to the problem .Furthermore, the nonlinear terms for this problem is solved using homotopy method (HPM). Some examples are taken to compare results between two methods and to verify the reliability of our present methods.
Signal denoising is directly related to sample estimation of received signals, either by estimating the equation parameters for the target reflections or the surrounding noise and clutter accompanying the data of interest. Radar signals recorded using analogue or digital devices are not immune to noise. Random or white noise with no coherency is mainly produced in the form of random electrons, and caused by heat, environment, and stray circuitry loses. These factors influence the output signal voltage, thus creating detectable noise. Differential Evolution (DE) is an effectual, competent, and robust optimisation method used to solve different problems in the engineering and scientific domains, such as in signal processing. This paper looks
... Show MoreIn this paper we used frequentist and Bayesian approaches for the linear regression model to predict future observations for unemployment rates in Iraq. Parameters are estimated using the ordinary least squares method and for the Bayesian approach using the Markov Chain Monte Carlo (MCMC) method. Calculations are done using the R program. The analysis showed that the linear regression model using the Bayesian approach is better and can be used as an alternative to the frequentist approach. Two criteria, the root mean square error (RMSE) and the median absolute deviation (MAD) were used to compare the performance of the estimates. The results obtained showed that the unemployment rates will continue to increase in the next two decade
... Show MoreIn this paper the modified trapezoidal rule is presented for solving Volterra linear Integral Equations (V.I.E) of the second kind and we noticed that this procedure is effective in solving the equations. Two examples are given with their comparison tables to answer the validity of the procedure.
In this paper, a self-tuning adaptive neural controller strategy for unknown nonlinear system is presented. The system considered is described by an unknown NARMA-L2 model and a feedforward neural network is used to learn the model with two stages. The first stage is learned off-line with two configuration serial-parallel model & parallel model to ensure that model output is equal to actual output of the system & to find the jacobain of the system. Which appears to be of critical importance parameter as it is used for the feedback controller and the second stage is learned on-line to modify the weights of the model in order to control the variable parameters that will occur to the system. A back propagation neural network is appl
... Show MoreAlgorithms using the second order of B -splines [B (x)] and the third order of B -splines [B,3(x)] are derived to solve 1' , 2nd and 3rd linear Fredholm integro-differential equations (F1DEs). These new procedures have all the useful properties of B -spline function and can be used comparatively greater computational ease and efficiency.The results of these algorithms are compared with the cubic spline function.Two numerical examples are given for conciliated the results of this method.
Hepatocellular carcinoma (HCC) is the third most common cause of cancer-related death. Therefore, it is critical for researchers to understand molecular biology in greater depth. In several diseases including cancer, abnormal miRNA expression has been linked to apoptosis, proliferation, differentiation, and metastasis. Many miRNAs have been studied in relation to cancer, including miR-122, miR-223, and others. Hepatitis B and C viruses are the most important global risk factors for HCC. This study is intended to test whether serum miRNAs serve as a potential biomarker for both HCC and viral infections HBV and C. The expression of miRNA in 64 serum samples was analyzed by RT-qPCR. Compared to healthy volunteers, HCC patients' sera expre
... Show MoreModeling data acquisition systems (DASs) can support the vehicle industry in the development and design of sophisticated driver assistance systems. Modeling DASs on the basis of multiple criteria is considered as a multicriteria decision-making (MCDM) problem. Although literature reviews have provided models for DASs, the issue of imprecise, unclear, and ambiguous information remains unresolved. Compared with existing MCDM methods, the robustness of the fuzzy decision by opinion score method II (FDOSM II) and fuzzy weighted with zero inconsistency II (FWZIC II) is demonstrated for modeling the DASs. However, these methods are implemented in an intuitionistic fuzzy set environment that restricts the ability of experts to provide mem
... Show More