Abstract: The electronic structure calculation for the nanoclusters of AsSiTeB/SiAsBTe quaternary semiconductor alloy belonging to the III-V Group elements was performed. Motivation for this research work was to look for accurate electronic and geometric data of small nanoclusters of AsSiTeB/SiAsBTe in the gaseous form. The two clusters, one in the linear form and the other in the bent form, were studied under the framework of Density Functional Theory (DFT) using the B3LYP functional and LANL2DZ basis set with the software packaged Gaussian 16. We have discussed the Optimized Energy, Frontier Orbital Energy Gap in terms of HOMO-LUMO, Dipole Moment, Ionization Potential, Electron Affinity, Binding Energy, Embedding Energy, Density of States (DoS) spectrum for both structures. The important findings of the predicted nanostructures are that these structures have wide band gap energy, where linear structure has band gap energy (Eg) value is 2.375 eV and bent structure (Eg) value is 2.778 eV. Therefore, these structures can be utilized as wide band gap semiconductors. These structures have high electron affinity value of 4.259 eV for the linear structure and electron affinity value of 3.387 eV for the bent structure form. It shows that electron acceptor capability is high for both forms. The widely known application of these compounds is in the light emitting diodes due to their wide band gap nature.
Abstract: This study deals with the structural and electronic properties of ternary PdMnGe Half-Heusler alloy using the full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package, within the framework of generalized gradient approximation (GGA). Structural parameters, total and partial densities of states were also analyzed. The obtained result shows that the studied material is metallic in GGA treatment. The elastic constants (Cij) show that our compound is ductile, stiff and anisotropic.
Abstract: Lithium ion batteries are currently used for many applications including satellites, electric vehicles and mobile electronics. Their ability to store relatively large amount of energy in a limited space make them most appropriate for critical applications. Evaluation of the life of these batteries and their reliability becomes crucial to the systems they support. Reliability of Li-Ion batteries has been mainly considered based on its lifetime. However, another important factor that can be considered critical in many applications such as in electric vehicles is the cycle duration. The present work presents the results of an experimental investigation on the degradation behavior of a Laptop Li-ion battery (type TKV2V) and the effect of applied load on the battery cycle time. The reliability was evaluated using an accelerated life test. Least squares linear regression with median rank estimation was used to estimate the Weibull distribution parameters needed for the reliability functions estimation. The probability density function, failure rate and reliability function under each of the applied loads were evaluated and compared. An inverse power model is introduced that can predict cycle time at any stress level given.
Abstract: The statistical modelling of precipitation data for a
given portion of territory is fundamental for the monitoring of
climatic conditions and for Hydrogeological Management Plans
(HMP). This modelling is rendered particularly complex by the
changes taking place in the frequency and intensity of precipitation,
presumably to be attributed to the global climate change. This paper
applies the Wakeby distribution (with 5 parameters) as a theoretical
reference model. The number and the quality of the parameters
indicate that this distribution may be the appropriate choice for
the interpolations of the hydrological variables and, moreover, the
Wakeby is particularly suitable for describing phenomena producing
heavy tails. The proposed estimation methods for determining the
value of the Wakeby parameters are the same as those used for
density functions with heavy tails. The commonly used procedure
is the classic method of moments weighed with probabilities
(probability weighted moments, PWM) although this has often shown
difficulty of convergence, or rather, convergence to a configuration
of inappropriate parameters. In this paper, we analyze the problem of
the likelihood estimation of a random variable expressed through its
quantile function. The method of maximum likelihood, in this case,
is more demanding than in the situations of more usual estimation.
The reasons for this lie, in the sampling and asymptotic properties of
the estimators of maximum likelihood which improve the estimates
obtained with indications of their variability and, therefore, their
accuracy and reliability. These features are highly appreciated in
contexts where poor decisions, attributable to an inefficient or
incomplete information base, can cause serious damages.
Abstract: The performance of Decode and Forward (DF)
multihop Free Space Optical ( FSO) scheme deploying Multiple Input
Multiple Output (MIMO) configuration under Gamma-Gamma (GG)
statistical distribution, that adopts M-ary Pulse Position Modulation
(MPPM) coding, is investigated. We have extracted exact and
estimated values of Symbol-Error Rates (SERs) respectively. A
closed form formula related to the Probability Density Function
(PDF) is expressed for our designed system. Thanks to the use
of DF multihop MIMO FSO configuration and MPPM signaling,
atmospheric turbulence is combatted; hence the transmitted signal
quality is improved.
Abstract: In this paper, we deal with the optimal I/O point location in an automated parking system. In this system, the S/R machine (storage and retrieve machine) travels independently in vertical and horizontal directions. Based on the characteristics of the parking system and the basic principle of AS/RS system (Automated Storage and Retrieval System), we obtain the continuous model in units of time. For the single command cycle using the randomized storage policy, we calculate the probability density function for the system travel time and thus we develop the travel time model. And we confirm that the travel time model shows a good performance by comparing with discrete case. Finally in this part, we establish the optimal model by minimizing the expected travel time model and it is shown that the optimal location of the I/O point is located at the middle of the left-hand above corner.
Abstract: The performance of hybrid amplify and forward -
decode and forward (AF-DF) hybrid radio frequency/free space
optical (RF/FSO) communication system, that adopts M-ary pulse
position modulation (MPPM) techniques, is analyzed. Both exact
and approximate symbol-error rates (SERs) are derived. The random
variations of the received optical irradiance, produced by the
atmospheric turbulence, is modeled by the gamma-gamma (GG)
statistical distribution. A closed-form expression for the probability
density function (PDF) is derived for the whole above system
is obtained. Thanks to the use of hybrid AF-DF hybrid RF/FSO
configuration and MPPM, the effects of atmospheric turbulence is
mitigated; hence the capacity of combating atmospheric turbulence
and the transmissitted signal quality are improved.
Abstract: We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.
Abstract: Worldwide energy independence is reliant on the ability to leverage locally available resources for fuel production. Recently, syngas produced through gasification of carbonaceous materials provided a gateway to a host of processes for the production of various chemicals including transportation fuels. The basis of the production of gasoline and diesel-like fuels is the Fischer Tropsch Synthesis (FTS) process: A catalyzed chemical reaction that converts a mixture of carbon monoxide (CO) and hydrogen (H2) into long chain hydrocarbons. Until now, it has been argued that only transition metal catalysts (usually Co or Fe) are active toward the CO hydrogenation and subsequent chain growth in the presence of hydrogen. In this paper, we demonstrate that carbon nanotube (CNT) surfaces are also capable of hydro-deoxygenating CO and producing long chain hydrocarbons similar to that obtained through the FTS but with orders of magnitude higher conversion efficiencies than the present state-of-the-art FTS catalysts. We have used advanced experimental tools such as XPS and microscopy techniques to characterize CNTs and identify C-O functional groups as the active sites for the enhanced catalytic activity. Furthermore, we have conducted quantum Density Functional Theory (DFT) calculations to confirm that C-O groups (inherent on CNT surfaces) could indeed be catalytically active towards reduction of CO with H2, and capable of sustaining chain growth. The DFT calculations have shown that the kinetically and thermodynamically feasible route for CO insertion and hydro-deoxygenation are different from that on transition metal catalysts. Experiments on a continuous flow tubular reactor with various nearly metal-free CNTs have been carried out and the products have been analyzed. CNTs functionalized by various methods were evaluated under different conditions. Reactor tests revealed that the hydrogen pre-treatment reduced the activity of the catalysts to negligible levels. Without the pretreatment, the activity for CO conversion as found to be 7 µmol CO/g CNT/s. The O-functionalized samples showed very activities greater than 85 µmol CO/g CNT/s with nearly 100% conversion. Analyses show that CO hydro-deoxygenation occurred at the C-O/O-H functional groups. It was found that while the products were similar to FT products, differences in selectivities were observed which, in turn, was a result of a different catalytic mechanism. These findings now open a new paradigm for CNT-based hydrogenation catalysts and constitute a defining point for obtaining clean, earth abundant, alternative fuels through the use of efficient and renewable catalyst.
Abstract: The study was carried out to establish the probability density function of some selected building construction projects of similar complexity delivered using Bill of Quantities (BQ) and Lump Sum (LS) forms of contract, and to draw a reliability scenario for each form of contract. 30 of such delivered projects are analyzed for each of the contract forms using Weibull Analysis, and their Weibull functions (α, and β) are determined based on their completion times. For the BQ form of contract delivered projects, α is calculated as 1.6737E20 and β as + 0.0115 and for the LS form, α is found to be 5.6556E03 and β is determined as + 0.4535. Using these values, respective probability density functions are calculated and plotted, as handy tool for risk analysis of future projects of similar characteristics. By input of variables from other projects, decision making processes can be made for a whole project or its components using EVM Analysis in project evaluation and review techniques. This framework, as a quantitative approach, depends on the assumption of normality in projects completion time, it can help greatly in determining the completion time probability for veritable projects using any of the contract forms under consideration. Projects aspects that are not amenable to measurement, on the other hand, can be analyzed using fuzzy sets and fuzzy logic. This scenario can be drawn for different types of building construction projects, and using different suitable forms of contract in projects delivery.
Abstract: Surrogate model has received increasing attention for use in detecting damage of structures based on vibration modal parameters. However, uncertainties existing in the measured vibration data may lead to false or unreliable output result from such model. In this study, an efficient approach based on Monte Carlo simulation is proposed to take into account the effect of uncertainties in developing a surrogate model. The probability of damage existence (PDE) is calculated based on the probability density function of the existence of undamaged and damaged states. The kriging technique allows one to genuinely quantify the surrogate error, therefore it is chosen as metamodeling technique. Enhanced version of ideal gas molecular movement (EIGMM) algorithm is used as main algorithm for model updating. The developed approach is applied to detect simulated damage in numerical models of 72-bar space truss and 120-bar dome truss. The simulation results show the proposed method can perform well in probability-based damage detection of structures with less computational effort compared to direct finite element model.
Abstract: We present a theoretical investigation on the structural,
electronic properties and vibrational mode of nitrogen impurities
in ZnO. The atomic structures, formation and transition energies
and vibrational modes of (NO3)i interstitial or NO4 substituting
on an oxygen site ZnO were computed using ab initio total energy
methods. Based on Local density functional theory, our calculations
are in agreement with one interpretation of bound-excition
photoluminescence for N-doped ZnO. First-principles calculations
show that (NO3)i defects interstitial or NO4 substituting on an
Oxygen site in ZnO are important suitable impurity for p-type doping
in ZnO. However, many experimental efforts have not resulted in
reproducible p-type material with N2 and N2O doping. by means of
first-principle pseudo-potential calculation we find that the use of NO
or NO2 with O gas might help the experimental research to resolve
the challenge of achieving p-type ZnO.
Abstract: Understanding the statistics of non-isotropic scattering multipath channels that fade randomly with respect to time, frequency, and space in a mobile environment is very crucial for the accurate detection of received signals in wireless and cellular communication systems. In this paper, we derive stochastic models for the probability density function (PDF) of the shift in the carrier frequency caused by the Doppler Effect on the received illuminating signal in the presence of a dominant line of sight. Our derivation is based on a generalized Clarke’s and a two-wave partially developed scattering models, where the statistical distribution of the frequency shift is shown to be consistent with the power spectral density of the Doppler shifted signal.
Abstract: Optical properties of bulk and thin film of 1H-CaAlSi for two directions (1,0,0) and (0,0,1) were studied. The calculations are carried out by Density Functional Theory (DFT) method using full potential. GGA approximation was used to calculate exchange-correlation energy. The calculations are performed by WIEN2k package. The results showed that the absorption edge is shifted backward 0.82eV in the thin film than the bulk for both directions. The static values of the real part of dielectric function for four cases were obtained. The static values of the refractive index for four cases are calculated too. The reflectivity graphs have shown an intensive difference between the reflectivity of the thin film and the bulk in the ultraviolet region.
Abstract: Probabilistic risk analysis models are used to provide a better understanding of the reliability and structural failure of works, including when calculating the stability of large structures to a major risk in the event of an accident or breakdown. This work is interested in the study of the probability of failure of concrete dams through the application of reliability analysis methods including the methods used in engineering. It is in our case, the use of level 2 methods via the study limit state. Hence, the probability of product failures is estimated by analytical methods of the type first order risk method (FORM) and the second order risk method (SORM). By way of comparison, a level three method was used which generates a full analysis of the problem and involves an integration of the probability density function of random variables extended to the field of security using the Monte Carlo simulation method. Taking into account the change in stress following load combinations: normal, exceptional and extreme acting on the dam, calculation of the results obtained have provided acceptable failure probability values which largely corroborate the theory, in fact, the probability of failure tends to increase with increasing load intensities, thus causing a significant decrease in strength, shear forces then induce a shift that threatens the reliability of the structure by intolerable values of the probability of product failures. Especially, in case the increase of uplift in a hypothetical default of the drainage system.
Abstract: In this paper, we present a neural approach for
unsupervised natural color-texture image segmentation, which is
based on both Kohonen maps and mathematical morphology, using
a combination of the texture and the image color information of the
image, namely, the fractal features based on fractal dimension are
selected to present the information texture, and the color features
presented in RGB color space. These features are then used to train
the network Kohonen, which will be represented by the underlying
probability density function, the segmentation of this map is made
by morphological watershed transformation. The performance of our
color-texture segmentation approach is compared first, to color-based
methods or texture-based methods only, and then to k-means method.
Abstract: This paper presents the three optimization models, namely New Binary Artificial Bee Colony (NBABC) algorithm, NBABC with Local Search (NBABC-LS), and NBABC with Genetic Crossover (NBABC-GC) for solving the Wind-Thermal Unit Commitment (WTUC) problem. The uncertain nature of the wind power is incorporated using the Weibull probability density function, which is used to calculate the overestimation and underestimation costs associated with the wind power fluctuation. The NBABC algorithm utilizes a mechanism based on the dissimilarity measure between binary strings for generating the binary solutions in WTUC problem. In NBABC algorithm, an intelligent scout bee phase is proposed that replaces the abandoned solution with the global best solution. The local search operator exploits the neighboring region of the current solutions, whereas the integration of genetic crossover with the NBABC algorithm increases the diversity in the search space and thus avoids the problem of local trappings encountered with the NBABC algorithm. These models are then used to decide the units on/off status, whereas the lambda iteration method is used to dispatch the hourly load demand among the committed units. The effectiveness of the proposed models is validated on an IEEE 10-unit thermal system combined with a wind farm over the planning period of 24 hours.
Abstract: This paper presents the three optimization models, namely New Binary Artificial Bee Colony (NBABC) algorithm, NBABC with Local Search (NBABC-LS), and NBABC with Genetic Crossover (NBABC-GC) for solving the Wind-Thermal Unit Commitment (WTUC) problem. The uncertain nature of the wind power is incorporated using the Weibull probability density function, which is used to calculate the overestimation and underestimation costs associated with the wind power fluctuation. The NBABC algorithm utilizes a mechanism based on the dissimilarity measure between binary strings for generating the binary solutions in WTUC problem. In NBABC algorithm, an intelligent scout bee phase is proposed that replaces the abandoned solution with the global best solution. The local search operator exploits the neighboring region of the current solutions, whereas the integration of genetic crossover with the NBABC algorithm increases the diversity in the search space and thus avoids the problem of local trappings encountered with the NBABC algorithm. These models are then used to decide the units on/off status, whereas the lambda iteration method is used to dispatch the hourly load demand among the committed units. The effectiveness of the proposed models is validated on an IEEE 10-unit thermal system combined with a wind farm over the planning period of 24 hours.
Abstract: Stochastic modeling concerns the use of probability
to model real-world situations in which uncertainty is present.
Therefore, the purpose of stochastic modeling is to estimate the
probability of outcomes within a forecast, i.e. to be able to predict
what conditions or decisions might happen under different situations.
In the present study, we present a model of a stochastic diffusion
process based on the bi-Weibull distribution function (its trend
is proportional to the bi-Weibull probability density function). In
general, the Weibull distribution has the ability to assume the
characteristics of many different types of distributions. This has
made it very popular among engineers and quality practitioners, who
have considered it the most commonly used distribution for studying
problems such as modeling reliability data, accelerated life testing,
and maintainability modeling and analysis. In this work, we start
by obtaining the probabilistic characteristics of this model, as the
explicit expression of the process, its trends, and its distribution by
transforming the diffusion process in a Wiener process as shown in
the Ricciaardi theorem. Then, we develop the statistical inference of
this model using the maximum likelihood methodology. Finally, we
analyse with simulated data the computational problems associated
with the parameters, an issue of great importance in its application to
real data with the use of the convergence analysis methods. Overall,
the use of a stochastic model reflects only a pragmatic decision on
the part of the modeler. According to the data that is available and
the universe of models known to the modeler, this model represents
the best currently available description of the phenomenon under
consideration.
Abstract: In this paper, we discuss a Bayesian approach to
quantile autoregressive (QAR) time series model estimation and
forecasting. Together with a combining forecasts technique, we then
predict USD to GBP currency exchange rates. Combined forecasts
contain all the information captured by the fitted QAR models
at different quantile levels and are therefore better than those
obtained from individual models. Our results show that an unequally
weighted combining method performs better than other forecasting
methodology. We found that a median AR model can perform well in
point forecasting when the predictive density functions are symmetric.
However, in practice, using the median AR model alone may involve
the loss of information about the data captured by other QAR models.
We recommend that combined forecasts should be used whenever
possible.