Theoretical Calculation of Electrical and Optical Properties of BaZrO3

In this project electrical and optical properties of BaZrO3 have been accomplished through the full-potential linear augmented plane wave (FP-LAPW) by applying Wein2k software. In this study band structure, density of state, gap energy, refractive index and optical conduction have been studied. The results of calculations show that BaZrO3 is an insulator with an indirect gap in which 3.2 ev and studied refractive index equal 2.07. These results are in accordance with the ones obtained in experimental researches.

Analysis of Complexes Pairing Performat Radical and Water

The present article comprises a theoretical study of structures Performat radical (HCO3) with H2O molecule. We make use of ab initio quantum chemical methods. Unrestricted Hartee-Fock (UHF) with the basis set6-311+g(2df,2p) and density functional theory (B3LYP) with the basis set 6-311+g(2df,2p) and also we done atoms in molecules (AIM) theory for them. We have found four stable geometries the PerformatRadical(HCO3) with H2O.

Carbon Disulfide Production via Hydrogen Sulfide Methane Reformation

Carbon disulfide is widely used for the production of viscose rayon, rubber, and other organic materials and it is a feedstock for the synthesis of sulfuric acid. The objective of this paper is to analyze possibilities for efficient production of CS2 from sour natural gas reformation (H2SMR) (2H2S+CH4 =CS2 +4H2) . Also, the effect of H2S to CH4 feed ratio and reaction temperature on carbon disulfide production is investigated numerically in a reforming reactor. The chemical reaction model is based on an assumed Probability Density Function (PDF) parameterized by the mean and variance of mixture fraction and β-PDF shape. The results show that the major factors influencing CS2 production are reactor temperature. The yield of carbon disulfide increases with increasing H2S to CH4 feed gas ratio (H2S/CH4≤4). Also the yield of C(s) increases with increasing temperature until the temperature reaches to 1000°K, and then due to increase of CS2 production and consumption of C(s), yield of C(s) drops with further increase in the temperature. The predicted CH4 and H2S conversion and yield of carbon disulfide are in good agreement with result of Huang and TRaissi.

The Statistical Properties of Filtered Signals

In this paper, the statistical properties of filtered or convolved signals are considered by deriving the resulting density functions as well as the exact mean and variance expressions given a prior knowledge about the statistics of the individual signals in the filtering or convolution process. It is shown that the density function after linear convolution is a mixture density, where the number of density components is equal to the number of observations of the shortest signal. For circular convolution, the observed samples are characterized by a single density function, which is a sum of products.

Structural Study of Boron - Nitride Nanotube with Magnetic Resonance (NMR) Parameters Calculation via Density Functional Theory Method (DFT)

A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at 11B and 15N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and especially at the ends but the nuclei in a layer feel the same electrostatic environment. All of calculations carried out using Gaussian 98 Software package.

Density Functional Calculations of N-14 andB-11 NQR Parameters in the H-capped (5, 5)Single-Wall BN Nanotube

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.

Probabilistic Characteristics of older PR Frames in the Mid-America Earthquake Region

Probabilistic characteristics of seismic responses of the Partially Restrained connection rotation (PRCR) and panel zone deformation (PZD) installed in older steel moment frames were investigated in accordance with statistical inference in decision-making process. The 4, 6 and 8 story older steel moment frames with clip angle and T-stub connections were designed and analyzed using 2%/50yrs ground motions in four cities of the Mid-America earthquake region. The probability density function and cumulative distribution function of PRCR and PZD were determined by the goodness-of-fit tests based on probabilistic parameters measured from the results of the nonlinear time-history analyses. The obtained probabilistic parameters and distributions can be used to find out what performance level mainly PR connections and panel zones satisfy and how many PR connections and panel zones experience a serious damage under the Mid-America ground motions.

Statistical Evaluation of Nonlinear Distortion using the Multi-Canonical Monte Carlo Method and the Split Step Fourier Method

In high powered dense wavelength division multiplexed (WDM) systems with low chromatic dispersion, four-wave mixing (FWM) can prove to be a major source of noise. The MultiCanonical Monte Carlo Method (MCMC) and the Split Step Fourier Method (SSFM) are combined to accurately evaluate the probability density function of the decision variable of a receiver, limited by FWM. The combination of the two methods leads to more accurate results, and offers the possibility of adding other optical noises such as the Amplified Spontaneous Emission (ASE) noise.

Time Domain and Frequency Domain Analyses of Measured Metocean Data for Malaysian Waters

Data of wave height and wind speed were collected from three existing oil fields in South China Sea – offshore Peninsular Malaysia, Sarawak and Sabah regions. Extreme values and other significant data were employed for analysis. The data were recorded from 1999 until 2008. The results show that offshore structures are susceptible to unacceptable motions initiated by wind and waves with worst structural impacts caused by extreme wave heights. To protect offshore structures from damage, there is a need to quantify descriptive statistics and determine spectra envelope of wind speed and wave height, and to ascertain the frequency content of each spectrum for offshore structures in the South China Sea shallow waters using measured time series. The results indicate that the process is nonstationary; it is converted to stationary process by first differencing the time series. For descriptive statistical analysis, both wind speed and wave height have significant influence on the offshore structure during the northeast monsoon with high mean wind speed of 13.5195 knots ( = 6.3566 knots) and the high mean wave height of 2.3597 m ( = 0.8690 m). Through observation of the spectra, there is no clear dominant peak and the peaks fluctuate randomly. Each wind speed spectrum and wave height spectrum has its individual identifiable pattern. The wind speed spectrum tends to grow gradually at the lower frequency range and increasing till it doubles at the higher frequency range with the mean peak frequency range of 0.4104 Hz to 0.4721 Hz, while the wave height tends to grow drastically at the low frequency range, which then fluctuates and decreases slightly at the high frequency range with the mean peak frequency range of 0.2911 Hz to 0.3425 Hz.

Kalman-s Shrinkage for Wavelet-Based Despeckling of SAR Images

In this paper, a new probability density function (pdf) is proposed to model the statistics of wavelet coefficients, and a simple Kalman-s filter is derived from the new pdf using Bayesian estimation theory. Specifically, we decompose the speckled image into wavelet subbands, we apply the Kalman-s filter to the high subbands, and reconstruct a despeckled image from the modified detail coefficients. Experimental results demonstrate that our method compares favorably to several other despeckling methods on test synthetic aperture radar (SAR) images.

Tool Failure Detection Based on Statistical Analysis of Metal Cutting Acoustic Emission Signals

The analysis of Acoustic Emission (AE) signal generated from metal cutting processes has often approached statistically. This is due to the stochastic nature of the emission signal as a result of factors effecting the signal from its generation through transmission and sensing. Different techniques are applied in this manner, each of which is suitable for certain processes. In metal cutting where the emission generated by the deformation process is rather continuous, an appropriate method for analysing the AE signal based on the root mean square (RMS) of the signal is often used and is suitable for use with the conventional signal processing systems. The aim of this paper is to set a strategy in tool failure detection in turning processes via the statistic analysis of the AE generated from the cutting zone. The strategy is based on the investigation of the distribution moments of the AE signal at predetermined sampling. The skews and kurtosis of these distributions are the key elements in the detection. A normal (Gaussian) distribution has first been suggested then this was eliminated due to insufficiency. The so called Beta distribution was then considered, this has been used with an assumed β density function and has given promising results with regard to chipping and tool breakage detection.

Wood Species Recognition System

The proposed system identifies the species of the wood using the textural features present in its barks. Each species of a wood has its own unique patterns in its bark, which enabled the proposed system to identify it accurately. Automatic wood recognition system has not yet been well established mainly due to lack of research in this area and the difficulty in obtaining the wood database. In our work, a wood recognition system has been designed based on pre-processing techniques, feature extraction and by correlating the features of those wood species for their classification. Texture classification is a problem that has been studied and tested using different methods due to its valuable usage in various pattern recognition problems, such as wood recognition, rock classification. The most popular technique used for the textural classification is Gray-level Co-occurrence Matrices (GLCM). The features from the enhanced images are thus extracted using the GLCM is correlated, which determines the classification between the various wood species. The result thus obtained shows a high rate of recognition accuracy proving that the techniques used in suitable to be implemented for commercial purposes.

Computational Studies of Binding Energies and Structures of Methylamine on Functionalized Activated Carbon Surfaces

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Influences of Si and C- Doping on the Al-27 and N-14 Quardrupole Coupling Constants in AlN Nanotubes: A DFT Study

A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.

Speech Enhancement by Marginal Statistical Characterization in the Log Gabor Wavelet Domain

This work presents a fusion of Log Gabor Wavelet (LGW) and Maximum a Posteriori (MAP) estimator as a speech enhancement tool for acoustical background noise reduction. The probability density function (pdf) of the speech spectral amplitude is approximated by a Generalized Laplacian Distribution (GLD). Compared to earlier estimators the proposed method estimates the underlying statistical model more accurately by appropriately choosing the model parameters of GLD. Experimental results show that the proposed estimator yields a higher improvement in Segmental Signal-to-Noise Ratio (S-SNR) and lower Log-Spectral Distortion (LSD) in two different noisy environments compared to other estimators.

An Extension of the Kratzel Function and Associated Inverse Gaussian Probability Distribution Occurring in Reliability Theory

In view of their importance and usefulness in reliability theory and probability distributions, several generalizations of the inverse Gaussian distribution and the Krtzel function are investigated in recent years. This has motivated the authors to introduce and study a new generalization of the inverse Gaussian distribution and the Krtzel function associated with a product of a Bessel function of the third kind )(zKQ and a Z - Fox-Wright generalized hyper geometric function introduced in this paper. The introduced function turns out to be a unified gamma-type function. Its incomplete forms are also discussed. Several properties of this gamma-type function are obtained. By means of this generalized function, we introduce a generalization of inverse Gaussian distribution, which is useful in reliability analysis, diffusion processes, and radio techniques etc. The inverse Gaussian distribution thus introduced also provides a generalization of the Krtzel function. Some basic statistical functions associated with this probability density function, such as moments, the Mellin transform, the moment generating function, the hazard rate function, and the mean residue life function are also obtained.KeywordsFox-Wright function, Inverse Gaussian distribution, Krtzel function & Bessel function of the third kind.

Tracking Objects in Color Image Sequences: Application to Football Images

In this paper, we present a comparative study between two computer vision systems for objects recognition and tracking, these algorithms describe two different approach based on regions constituted by a set of pixels which parameterized objects in shot sequences. For the image segmentation and objects detection, the FCM technique is used, the overlapping between cluster's distribution is minimized by the use of suitable color space (other that the RGB one). The first technique takes into account a priori probabilities governing the computation of various clusters to track objects. A Parzen kernel method is described and allows identifying the players in each frame, we also show the importance of standard deviation value research of the Gaussian probability density function. Region matching is carried out by an algorithm that operates on the Mahalanobis distance between region descriptors in two subsequent frames and uses singular value decomposition to compute a set of correspondences satisfying both the principle of proximity and the principle of exclusion.

Improved Segmentation of Speckled Images Using an Arithmetic-to-Geometric Mean Ratio Kernel

In this work, we improve a previously developed segmentation scheme aimed at extracting edge information from speckled images using a maximum likelihood edge detector. The scheme was based on finding a threshold for the probability density function of a new kernel defined as the arithmetic mean-to-geometric mean ratio field over a circular neighborhood set and, in a general context, is founded on a likelihood random field model (LRFM). The segmentation algorithm was applied to discriminated speckle areas obtained using simple elliptic discriminant functions based on measures of the signal-to-noise ratio with fractional order moments. A rigorous stochastic analysis was used to derive an exact expression for the cumulative density function of the probability density function of the random field. Based on this, an accurate probability of error was derived and the performance of the scheme was analysed. The improved segmentation scheme performed well for both simulated and real images and showed superior results to those previously obtained using the original LRFM scheme and standard edge detection methods. In particular, the false alarm probability was markedly lower than that of the original LRFM method with oversegmentation artifacts virtually eliminated. The importance of this work lies in the development of a stochastic-based segmentation, allowing an accurate quantification of the probability of false detection. Non visual quantification and misclassification in medical ultrasound speckled images is relatively new and is of interest to clinicians.