Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

The Modified Eigenface Method using Two Thresholds

A new approach is adopted in this paper based on Turk and Pentland-s eigenface method. It was found that the probability density function of the distance between the projection vector of the input face image and the average projection vector of the subject in the face database, follows Rayleigh distribution. In order to decrease the false acceptance rate and increase the recognition rate, the input face image has been recognized using two thresholds including the acceptance threshold and the rejection threshold. We also find out that the value of two thresholds will be close to each other as number of trials increases. During the training, in order to reduce the number of trials, the projection vectors for each subject has been averaged. The recognition experiments using the proposed algorithm show that the recognition rate achieves to 92.875% whilst the average number of judgment is only 2.56 times.

Synthesis, Investigation, DFT Study and Biological Activity of Zirconium (IV) Complexes

Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC3H3(C6H2)NC3H3} (L1) or 4-4-amino phenazone {ONC6H5(NH)CH(NH2} (L2) or diphenyl carbizon {HNNCO(NH)2(C6H5)} (L3) with a Zirconium Salt {ZrOCl2} in a 1:1 ratio to form complexes [{NC3H3(C6H2)NC3H3}ZrOCl2}] [ZrOCl2L1], [{(O2NC6H4(NH)(NH2)}ZrOCl2] [ZrOCl2L2] and [{HNNCO(NH)2(C6H5)ZrOCl2}] [ZrOCl2L3] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy. These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.

Compton Scattering of Annihilation Photons as a Short Range Quantum Key Distribution Mechanism

The angular distribution of Compton scattering of two quanta originating in the annihilation of a positron with an electron is investigated as a quantum key distribution (QKD) mechanism in the gamma spectral range. The geometry of coincident Compton scattering is observed on the two sides as a way to obtain partially correlated readings on the quantum channel. We derive the noise probability density function of a conceptually equivalent prepare and measure quantum channel in order to evaluate the limits of the concept in terms of the device secrecy capacity and estimate it at roughly 1.9 bits per 1 000 annihilation events. The high error rate is well above the tolerable error rates of the common reconciliation protocols; therefore, the proposed key agreement protocol by public discussion requires key reconciliation using classical error-correcting codes. We constructed a prototype device based on the readily available monolithic detectors in the least complex setup.

The Impact of Upgrades on ERP System Reliability

Constant upgrading of Enterprise Resource Planning (ERP) systems is necessary, but can cause new defects. This paper attempts to model the likelihood of defects after completed upgrades with Weibull defect probability density function (PDF). A case study is presented analyzing data of recorded defects obtained for one ERP subsystem. The trends are observed for the value of the parameters relevant to the proposed statistical Weibull distribution for a given one year period. As a result, the ability to predict the appearance of defects after the next upgrade is described.

Advanced Stochastic Models for Partially Developed Speckle

Speckled images arise when coherent microwave, optical, and acoustic imaging techniques are used to image an object, surface or scene. Examples of coherent imaging systems include synthetic aperture radar, laser imaging systems, imaging sonar systems, and medical ultrasound systems. Speckle noise is a form of object or target induced noise that results when the surface of the object is Rayleigh rough compared to the wavelength of the illuminating radiation. Detection and estimation in images corrupted by speckle noise is complicated by the nature of the noise and is not as straightforward as detection and estimation in additive noise. In this work, we derive stochastic models for speckle noise, with an emphasis on speckle as it arises in medical ultrasound images. The motivation for this work is the problem of segmentation and tissue classification using ultrasound imaging. Modeling of speckle in this context involves partially developed speckle model where an underlying Poisson point process modulates a Gram-Charlier series of Laguerre weighted exponential functions, resulting in a doubly stochastic filtered Poisson point process. The statistical distribution of partially developed speckle is derived in a closed canonical form. It is observed that as the mean number of scatterers in a resolution cell is increased, the probability density function approaches an exponential distribution. This is consistent with fully developed speckle noise as demonstrated by the Central Limit theorem.

Establishing a Probabilistic Model of Extrapolated Wind Speed Data for Wind Energy Prediction

Wind is among the potential energy resources which can be harnessed to generate wind energy for conversion into electrical power. Due to the variability of wind speed with time and height, it becomes difficult to predict the generated wind energy more optimally. In this paper, an attempt is made to establish a probabilistic model fitting the wind speed data recorded at Makambako site in Tanzania. Wind speeds and direction were respectively measured using anemometer (type AN1) and wind Vane (type WD1) both supplied by Delta-T-Devices at a measurement height of 2 m. Wind speeds were then extrapolated for the height of 10 m using power law equation with an exponent of 0.47. Data were analysed using MINITAB statistical software to show the variability of wind speeds with time and height, and to determine the underlying probability model of the extrapolated wind speed data. The results show that wind speeds at Makambako site vary cyclically over time; and they conform to the Weibull probability distribution. From these results, Weibull probability density function can be used to predict the wind energy.

Approximations to the Distribution of the Sample Correlation Coefficient

Given a bivariate normal sample of correlated variables, (Xi, Yi), i = 1, . . . , n, an alternative estimator of Pearson’s correlation coefficient is obtained in terms of the ranges, |Xi − Yi|. An approximate confidence interval for ρX,Y is then derived, and a simulation study reveals that the resulting coverage probabilities are in close agreement with the set confidence levels. As well, a new approximant is provided for the density function of R, the sample correlation coefficient. A mixture involving the proposed approximate density of R, denoted by hR(r), and a density function determined from a known approximation due to R. A. Fisher is shown to accurately approximate the distribution of R. Finally, nearly exact density approximants are obtained on adjusting hR(r) by a 7th degree polynomial.

Probability Density Estimation Using Advanced Support Vector Machines and the Expectation Maximization Algorithm

This paper presents a new approach for the prob-ability density function estimation using the Support Vector Ma-chines (SVM) and the Expectation Maximization (EM) algorithms.In the proposed approach, an advanced algorithm for the SVM den-sity estimation which incorporates the Mean Field theory in the learning process is used. Instead of using ad-hoc values for the para-meters of the kernel function which is used by the SVM algorithm,the proposed approach uses the EM algorithm for an automatic optimization of the kernel. Experimental evaluation using simulated data set shows encouraging results.

Theoretical Investigation of Carbazole-Based D-D-π-A Organic Dyes for Efficient Dye-Sensitized Solar Cell

In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Dynamic Economic Dispatch Constrained by Wind Power Weibull Distribution: A Here-and-Now Strategy

In this paper, a Dynamic Economic Dispatch (DED) model is developed for the system consisting of both thermal generators and wind turbines. The inclusion of a significant amount of wind energy into power systems has resulted in additional constraints on DED to accommodate the intermittent nature of the output. The probability of stochastic wind power based on the Weibull probability density function is included in the model as a constraint; A Here-and-Now Approach. The Environmental Protection Agency-s hourly emission target, which gives the maximum emission during the day, is used as a constraint to reduce the atmospheric pollution. A 69-bus test system with non-smooth cost function is used to illustrate the effectiveness of the proposed model compared with static economic dispatch model with including the wind power.

Speaker Identification by Joint Statistical Characterization in the Log Gabor Wavelet Domain

Real world Speaker Identification (SI) application differs from ideal or laboratory conditions causing perturbations that leads to a mismatch between the training and testing environment and degrade the performance drastically. Many strategies have been adopted to cope with acoustical degradation; wavelet based Bayesian marginal model is one of them. But Bayesian marginal models cannot model the inter-scale statistical dependencies of different wavelet scales. Simple nonlinear estimators for wavelet based denoising assume that the wavelet coefficients in different scales are independent in nature. However wavelet coefficients have significant inter-scale dependency. This paper enhances this inter-scale dependency property by a Circularly Symmetric Probability Density Function (CS-PDF) related to the family of Spherically Invariant Random Processes (SIRPs) in Log Gabor Wavelet (LGW) domain and corresponding joint shrinkage estimator is derived by Maximum a Posteriori (MAP) estimator. A framework is proposed based on these to denoise speech signal for automatic speaker identification problems. The robustness of the proposed framework is tested for Text Independent Speaker Identification application on 100 speakers of POLYCOST and 100 speakers of YOHO speech database in three different noise environments. Experimental results show that the proposed estimator yields a higher improvement in identification accuracy compared to other estimators on popular Gaussian Mixture Model (GMM) based speaker model and Mel-Frequency Cepstral Coefficient (MFCC) features.

Limiting Fiber Extensibility as Parameter for Damage in Venous Wall

An inflation–extension test with human vena cava inferior was performed with the aim to fit a material model. The vein was modeled as a thick–walled tube loaded by internal pressure and axial force. The material was assumed to be an incompressible hyperelastic fiber reinforced continuum. Fibers are supposed to be arranged in two families of anti–symmetric helices. Considered anisotropy corresponds to local orthotropy. Used strain energy density function was based on a concept of limiting strain extensibility. The pressurization was comprised by four pre–cycles under physiological venous loading (0 – 4kPa) and four cycles under nonphysiological loading (0 – 21kPa). Each overloading cycle was performed with different value of axial weight. Overloading data were used in regression analysis to fit material model. Considered model did not fit experimental data so good. Especially predictions of axial force failed. It was hypothesized that due to nonphysiological values of loading pressure and different values of axial weight the material was not preconditioned enough and some damage occurred inside the wall. A limiting fiber extensibility parameter Jm was assumed to be in relation to supposed damage. Each of overloading cycles was fitted separately with different values of Jm. Other parameters were held the same. This approach turned out to be successful. Variable value of Jm can describe changes in the axial force – axial stretch response and satisfy pressure – radius dependence simultaneously.

Unsupervised Feature Selection Using Feature Density Functions

Since dealing with high dimensional data is computationally complex and sometimes even intractable, recently several feature reductions methods have been developed to reduce the dimensionality of the data in order to simplify the calculation analysis in various applications such as text categorization, signal processing, image retrieval, gene expressions and etc. Among feature reduction techniques, feature selection is one the most popular methods due to the preservation of the original features. In this paper, we propose a new unsupervised feature selection method which will remove redundant features from the original feature space by the use of probability density functions of various features. To show the effectiveness of the proposed method, popular feature selection methods have been implemented and compared. Experimental results on the several datasets derived from UCI repository database, illustrate the effectiveness of our proposed methods in comparison with the other compared methods in terms of both classification accuracy and the number of selected features.

Modeling of Statistically Multiplexed Non Uniform Activity VBR Video

This paper reports the feasibility of the ARMA model to describe a bursty video source transmitting over a AAL5 ATM link (VBR traffic). The traffic represents the activity of the action movie "Lethal Weapon 3" transmitted over the ATM network using the Fore System AVA-200 ATM video codec with a peak rate of 100 Mbps and a frame rate of 25. The model parameters were estimated for a single video source and independently multiplexed video sources. It was found that the model ARMA (2, 4) is well-suited for the real data in terms of average rate traffic profile, probability density function, autocorrelation function, burstiness measure, and the pole-zero distribution of the filter model.

Density Functional Calculations of 27Al, 11B,and 14N and NQR Parameters in the (6, 0) BN_AlN Nanotube Junction

Density functional theory (DFT) calculations were performed to calculate aluminum-27, boron-11, and nitrogen-14 quadrupole coupling constant (CQ) in the representative considered model of (6, 0) boron nitride-aluminum nitride nanotube junction (BN-AlNNT) for the first time. To this aim, 1.3 nm length of BNAlN consisting of 18 Al, 18 B, and 36 N atoms was selected where the end atoms capped by hydrogen atoms. The calculated CQ values for optimized BN-AlNNT system reveal different electrostatic environment in the mentioned system. The calculations were performed using the Gaussian 98 package of program.

Performance of Dual MRC Receiver for M-ary Modulations over Correlated Nakagami-m Fading Channels with Non-identical and Arbitrary Fading Parameter

Performance of a dual maximal ratio combining receiver has been analyzed for M-ary coherent and non-coherent modulations over correlated Nakagami-m fading channels with nonidentical and arbitrary fading parameter. The classical probability density function (PDF) based approach is used for analysis. Expressions for outage probability and average symbol error performance for M-ary coherent and non-coherent modulations have been obtained. The obtained results are verified against the special case published results and found to be matching. The effect of the unequal fading parameters, branch correlation and unequal input average SNR on the receiver performance has been studied.

A Note on the Numerical Solution of Singular Integral Equations of Cauchy Type

This manuscript presents a method for the numerical solution of the Cauchy type singular integral equations of the first kind, over a finite segment which is bounded at the end points of the finite segment. The Chebyshev polynomials of the second kind with the corresponding weight function have been used to approximate the density function. The force function is approximated by using the Chebyshev polynomials of the first kind. It is shown that the numerical solution of characteristic singular integral equation is identical with the exact solution, when the force function is a cubic function. Moreover, it also shown that this numerical method gives exact solution for other singular integral equations with degenerate kernels.

Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Analysis of Different Combining Schemes of Two Amplify-Forward Relay Branches with Individual Links Experiencing Nakagami Fading

Relay based communication has gained considerable importance in the recent years. In this paper we find the end-toend statistics of a two hop non-regenerative relay branch, each hop being Nakagami-m faded. Closed form expressions for the probability density functions of the signal envelope at the output of a selection combiner and a maximal ratio combiner at the destination node are also derived and analytical formulations are verified through computer simulation. These density functions are useful in evaluating the system performance in terms of bit error rate and outage probability.